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Molecule
ID:3655
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₆H₁₄N₄O₂
Molecular Mass
174.20096
Exact Mass
174.11167571
Charge
0
InChI
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m1/s1
InChIKey
ODKSFYDXXFIFQN-SCSAIBSYSA-N
Canonic Smiles
NC(=N)NCCC[C@H](C(=O)O)N
Isomeric Smiles
N[C@H](CCCNC(=N)N)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.85
LogD (pH = 5.5)
-6.07
Log P
-3.16
Rotatable Bonds
5
H Donor
5
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
12.41
Polar Surface Area
125.22
Polarizability
17.78
Molar Refractivity
53.92
LOG S
-0.14
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
•
Academic Data
•
Commercial Catalog
Names and Identifiers
•
IUPAC Traditional name
•
Synonyms
•
IUPAC name
Registration numbers
Properties
•
Safety Information
•
Physical Property
•
Product Information
•
Pharmacology Properties
Related Proteins
Molecular Spectra
Molecule Details
•
DrugBank
•
MP Biomedicals
•
Sigma Aldrich
•
ChEBI
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Academic Data
DrugBank
DB04027
PubChem
71070
ChEBI
CHEBI:15816
Commercial Catalog
Matrix Scientific
041283
MP Biomedicals
02191238
Sigma Aldrich
A2646
11017
11015
Bide Pharmatech
BD32099
Alfa Aesar
A16137
Names and Identifiers
IUPAC Traditional name
D-arginine
Synonyms
D-ARGININE FREE BASE
D-Arginine
(R)-2-Amino-5-guanidinopentanoic acid
D-Arginine
D-精氨酸
(R)-2-Amino-5-guanidinopentanoic acid
H-D-Arg-OH
D-2-Amino-5-guanidinopentanoic acid
D-Arginine
DAR
D-Arginin
(2R)-2-amino-5-guanidinopentanoic acid
D-2-Amino-5-guanidinovaleric acid
(R)-2-amino-5-guanidinopentanoic acid
(2R)-2-amino-5-(carbamimidamido)pentanoic acid
D-arginine
IUPAC name
(2R)-2-amino-5-carbamimidamidopentanoic acid
Registration numbers
EC Number
205-866-5
CAS Number
157-06-2
MDL Number
MFCD00063116
PubChem CID
5287702
71070
PubChem SID
46506552
160967093
24890684
8145116
Beilstein Number
1725412
BKMS React Database
1255
8013
1349
BRENDA Database
1.4.3.19
3.5.1.81
5.1.1.12
2.3.1.36
1.4.99.6
3.4.13.17
6.3.2.4
1.4.5.1
1.4.1.2
5.1.1.10
6.3.2.24
3.5.3.6
2.6.1.21
3.4.17.2
1.5.99.13
3.4.22.37
2.3.1.109
1.1.1.B66
3.5.3.10
3.4.11.6
1.4.3.3
3.5.3.1
5.1.1.9
3.5.3.18
5.1.1.1
3.5.3.7
1.14.20.7
1.13.12.19
1.4.3.1
4.1.1.19
5.1.1.18
2.7.3.3
5.1.1.5
SureChEMBL Database
SCHEMBL29456
BRENDA Ligand Database
8013
1255
1349
MetaboLights Database
MTBLS926
MTBLS601
MTBLS1693
MTBLS3725
MTBLS3487
MTBLS4012
MTBLS3750
MTBLS1918
Patent number
US2007258941
US2006264608
US7256172
US2006276628
EP1918289
EP1566180
US2007213257
EP1586583
WO2007115808
DrugBank ID
DB04027
CHEBI ID
CHEBI:41855
CHEBI:15816
CHEBI:12917
CHEBI:20917
CHEBI:4106
SABIO-RK Database
14600
2782
9750
574
ACToR Database
134309-35-6
PubMed Citation Links
15723827
19651461
15540275
22518022
16912865
NMRShiftDB Database
20096827
KEGG ID
C00792
MetaCyc Database
CPD-220
CompTox Database
DTXSID40883354
UniProt Database
G1UII1
Q9Z6M8
Q8KZT5
I0J1I6
Gmelin ID
364938
PDBeChem Database
DAR
Reaxys Registry
1725412
HMDB Database
HMDB0003416
CHEMBL
CHEMBL212301
Molecule Details
DrugBank
DB04027
Drug Groups
experimental
Description
An essential amino acid that is physiologically active in the L-form. [PubChem]
MP Biomedicals
02191238
Free Base
Sigma Aldrich
A2646
包装
1, 5 g in poly bottle
250 mg in poly bottle
ChEBI
CHEBI:15816
A D-alpha-amino acid that is the D-isomer of arginine.
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
EC Number
•
CAS Number
•
MDL Number
•
PubChem CID
•
PubChem SID
•
Beilstein Number
•
BKMS React Database
•
BRENDA Database
•
SureChEMBL Database
•
BRENDA Ligand Database
•
MetaboLights Database
•
Patent number
•
DrugBank ID
•
CHEBI ID
•
SABIO-RK Database
•
ACToR Database
•
PubMed Citation Links
•
NMRShiftDB Database
•
KEGG ID
•
MetaCyc Database
•
CompTox Database
•
UniProt Database
•
Gmelin ID
•
PDBeChem Database
•
Reaxys Registry
•
HMDB Database
•
CHEMBL
Properties
Safety Information
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
Storage Warning
IRRITANT
Source
Air Sensitive
Source
TSCA Listed
false
Source
是
Source
Storage Condition
Room Temperature (15-30°C)
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
GHS Precautionary statements
P305+P351+P338
Source
P280
-
P264
-
P305+P351+P338
-
P337+P313
Source
Safety Statements
26
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
European Hazard Symbols
Irritant (Xi)
Source
Risk Statements
36
Source
GHS Hazard statements
H319
Source
German water hazard class
3
Source
GHS Signal Word
Warning
Source
RTECS
CF1934220
Source
Physical Property
Melting Point
226°C (Decomposes)
Source
226 °C (dec.)(lit.)
Source
~240 °C (dec.)
Source
ca 235°C
Source
Optical Rotation
[α]20/D -24.0±1°, c = 5% in 5 M HCl
Source
[α]20/D -26.5±0.5°, c = 5% in 5 M HCl
Source
Product Information
Certificate of Analysis
Download link
Source
Purity
≥98% (TLC)
Source
≥99.0% (NT)
Source
98%
Source
Ignition Residue
≤0.05%
Source
Grade
purum
Source
puriss.
Source
H2NC(=NH)NH(CH2)3CH(NH2)CO2H
Source
≤5% loss on drying, 20 °C (HV)
Source
~0.5% loss on drying, 20 °C (HV)
Source
Pharmacology Properties
Gene Information
rat ... Ppm1a(24666)
Source
Linear Formula
Loss on Drying