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Molecule
ID:13733
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₅H₇N₃
Molecular Mass
109.12918
Exact Mass
109.06399724
Charge
0
InChI
InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
InChIKey
OYTKINVCDFNREN-UHFFFAOYSA-N
Canonic Smiles
Nc1cnccc1N
Isomeric Smiles
c1cncc(c1N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8869183
LogD (pH = 7.4)
-1.8383725
Log P
-0.90227854
Molar Refractivity
33.3019
Polarizability
11.705648
Polar Surface Area
64.93
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
No Data Available
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Molecule Details
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References
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Bioactivity
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Quote
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
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Academic Data
Names and Identifiers
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IUPAC name
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IUPAC Traditional name
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Synonyms
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Properties
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Safety Information
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Product Information
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Physical Property
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Pharmacology Properties
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Wikipedia
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Sigma Aldrich
References
•
PubChem Literature
•
From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR6459
Matrix Scientific
011183
MP Biomedicals
02157599
05220508
Sigma Aldrich
D7148
33330
InterBioScreen
BB_SC-3135
Chemik
CHHZ03300
Bide Pharmatech
BD9613
Alfa Aesar
A12465
A&J Pharmtech
AJA-O9519
Academic Data
Wikipedia
3,4-Diaminopyridine
PubChem
5918
Names and Identifiers
IUPAC name
pyridine-3,4-diamine
IUPAC Traditional name
3,4-diaminopyridine
Synonyms
3,4-Diaminopyridine
Pyridine-3,4-diamine
Diamino-3,4-Pyridine
3,4-Diaminopyridine
3,4-二氨基吡啶
pyridine-3,4-diamine
3,4-Pyridinediamine
Registration numbers
PubChem SID
160977040
24860119
24894084
PubChem CID
5918
CAS Number
54-96-6
MDL Number
MFCD00006401
EC Number
200-220-9
Beilstein Number
110232
Merck Index
142986
Chemspider ID
5705
ATC CODE
N07XX05
Wikipedia Title
3,4-Diaminopyridine
Unique Ingredient Identifier
RU4S6E2G0J
CHEMBL
354077
Molecule Details
MP Biomedicals
05220508
MP Biomedicals Rare Chemical collection
Wikipedia
3,4-Diaminopyridine
Sigma Aldrich
D7148
包装
1, 5 g in glass bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem SID
•
PubChem CID
•
CAS Number
•
MDL Number
•
EC Number
•
Beilstein Number
•
Merck Index
•
Chemspider ID
•
ATC CODE
•
Wikipedia Title
•
Unique Ingredient Identifier
•
CHEMBL
Properties
Safety Information
TSCA Listed
false
Source
否
Source
MSDS Link
Download link
Source
Download link
Source
Download link
Source
Download link
Source
US7600000
Source
IRRITANT, TOXIC
Source
Very Toxic
Source
154
Source
S:
20
-
25
-
26
-
37/39
Source
26
-
28
-
36/37/39
-
45
Room Temperature (15-30°C)
Source
6.1B
Source
6.1
Source
2X
Source
Irritant (Xi)
R:
36/37/38
Source
25
-
26
-
36/37/38
Source
21
-
25
-
26
-
36
Source
T2
Source
2811
Source
UN2811
Source
III
Source
2
Source
II
Source
Danger
Source
H300+H330
-
H311
-
H315
-
H319
-
H335
Source
H300
-
H330
-
H312
-
H319
Source
P260
-
P264
-
P280
-
P284
-
P301+P310
-
P305+P351+P338
Source
P280H-
P304+P340
-
P305+P351+P338
-
P320
-
P302+P352
-
P310
UN 2811 6.1/PG 2
Source
3
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Source
Product Information
98%
Source
≥99.0% (NT)
Source
≥98.0% (TLC)
Source
98+%
Source
97%
Source
Download link
Source
Download link
Physical Property
218-220°C
Source
217-219°C
Source
218°C
Source
216-218 °C(lit.)
Source
216-218 °C
Source
217-220°C
Source
240°C(464°F)
Source
Pharmacology Properties
Phase III
Source
30%,
Source
Oral
Source
Source
26
-
28
-
36/37
-
45
Source
Source
Highly toxic (T+)
Source
Source
Source
Source
Grade
purum
Source
Empirical Formula (Hill Notation)
C5H7N3
Source
RTECS
Storage Warning
Emergency Response Guidebook(ERG) Number
Safety Statements
Storage Condition
EU Hazard Identification Number
Hazard Class
Australian Hazchem
European Hazard Symbols
Risk Statements
EU Classification
UN Number
Packing Group
GHS Signal Word
GHS Hazard statements
GHS Precautionary statements
RID/ADR
German water hazard class
GHS Pictograms
Personal Protective Equipment
Purity
Certificate of Analysis
Melting Point
Flash Point
Legal Status
Bioavailability
Admin Routes