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72187-91-8 molecular structure
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2-aminopropanenitrile hydrochloride

ChemBase ID: 255686
Molecular Formular: C3H7ClN2
Molecular Mass: 106.55408
Monoisotopic Mass: 106.02977591
SMILES and InChIs

SMILES:
N#CC(N)C.Cl
Canonical SMILES:
CC(C#N)N.Cl
InChI:
InChI=1S/C3H6N2.ClH/c1-3(5)2-4;/h3H,5H2,1H3;1H
InChIKey:
WJGQCCPNVRCAQI-UHFFFAOYSA-N

Cite this record

CBID:255686 http://www.chembase.cn/molecule-255686.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminopropanenitrile hydrochloride
IUPAC Traditional name
α-aminopropionitrile hydrochloride
Synonyms
2-aminopropanenitrile hydrochloride
CAS Number
72187-91-8
MDL Number
MFCD09971651
PubChem SID
164311596
PubChem CID
12782877

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12782877 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.684846  LogD (pH = 7.4) -0.59015536 
Log P -0.52076244  Molar Refractivity 19.4766 cm3
Polarizability 7.62496 Å3 Polar Surface Area 49.81 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
125 - 127°C expand Show data source
Hydrophobicity(logP)
-1.073 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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