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Molecule
ID:74394
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₅H₁₃Cl₂N
Molecular Mass
158.06942
Exact Mass
157.04250478
Charge
0
InChI
InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H
InChIKey
OCWGRWAYARCRTQ-UHFFFAOYSA-N
Canonic Smiles
CN(CC(Cl)C)C.Cl
Isomeric Smiles
N(CC(C)Cl)(C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-1.3413653
LogD (pH = 7.4)
0.43254375
Log P
1.2712344
Molar Refractivity
33.7502
Polarizability
13.282926
Polar Surface Area
3.24
Rotatable Bonds
2
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
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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
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Commercial Catalog
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC Traditional name
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IUPAC name
Registration numbers
Properties
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Physical Property
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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MP Biomedicals
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Sigma Aldrich
References
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PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
MP Biomedicals
05202643
Apollo Scientific
OR0980
Sigma Aldrich
D142409
24367
Alfa Aesar
B20882
Academic Data
PubChem
94294
Names and Identifiers
Synonyms
2-氯-N,N-二甲基丙胺 盐酸盐
β-(Dimethylamino)isopropyl chloride hydrochloride
N-(2-Chloropropyl)dimethylamine hydrochloride
2-氯-1-(二甲基氨基)丙烷 盐酸盐
2-Chloro-N,N-dimethylpropylamine hydrochloride
2-(二甲基氨基)异丙基氯 盐酸盐
β-(二甲基氨基)异丙基氯 盐酸盐
N-(2-氯丙基)二甲胺 盐酸盐
2-Chloro-1-(dimethylamino)propane hydrochloride
2-(Dimethylamino)isopropyl chloride hydrochloride
β-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE
2-Chloro-N,N-dimethylpropylamine
2-Chloro-N,N-dimethylpropylamine hydrochloride
2-Dimethylaminoisopropyl chloride hydrochloride
2-Chloro-1-dimethylaminopropane hydrochloride
2-Chloro-N,N-dimethylpropylamine hydrochloride 98%
2-二甲基氨异丙基氯 盐酸盐
IUPAC Traditional name
(2-chloropropyl)dimethylamine hydrochloride
IUPAC name
(2-chloropropyl)dimethylamine hydrochloride
Registration numbers
PubChem SID
24854630
162039313
24893435
Beilstein Number
3670215
MDL Number
MFCD00012534
CAS Number
4584-49-0
EC Number
224-971-7
PubChem CID
94294
Molecule Details
MP Biomedicals
05202643
MP Biomedicals Rare Chemical collection
Sigma Aldrich
D142409
Packaging
100 g in poly bottle
References
PubChem Literature
No Data Available
Click here to submit data
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem SID
•
Beilstein Number
•
MDL Number
•
CAS Number
•
EC Number
•
PubChem CID
Properties
Physical Property
Melting Point
191-195°C
Source
187-190 °C(lit.)
Source
187-190 °C
Source
190-193°C
Source
Safety Information
Safety Statements
S:
20
-
25
-
26
-
37/39
Source
26
Source
26
-
36/37
Source
Risk Statements
R:
36/37/38
Source
22
-
36/37/38
Source
RTECS
TY1225000
Source
European Hazard Symbols
Irritant (Xi)
Source
Harmful (Xn)
Harmful (X)
MSDS Link
Download link
Source
Download link
Source
Download link
Source
GHS Hazard statements
H302
-
H315
-
H319
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H335
Source
H301
-
H315
-
H319
-
H335
Source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P301+P310
-
P305+P351+P338
-
P302+P352
-
P405
-P501A
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
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
GHS Signal Word
Warning
Source
German water hazard class
3
Source
Storage Warning
Hygroscopic
Source
TSCA Listed
是
Source
Product Information
Certificate of Analysis
Download link
Source
Linear Formula
CH3CHClCH2N(CH3)2 · HCl
Source
Purity
98%
Source
≥97.0% (AT)
Source
Grade
purum
Source
Source
Source
Source