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15572-56-2 molecular structure
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propan-2-amine hydrochloride

ChemBase ID: 90735
Molecular Formular: C3H10ClN
Molecular Mass: 95.5712
Monoisotopic Mass: 95.05017701
SMILES and InChIs

SMILES:
NC(C)C.Cl
Canonical SMILES:
CC(N)C.Cl
InChI:
InChI=1S/C3H9N.ClH/c1-3(2)4;/h3H,4H2,1-2H3;1H
InChIKey:
ISYORFGKSZLPNW-UHFFFAOYSA-N

Cite this record

CBID:90735 http://www.chembase.cn/molecule-90735.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propan-2-amine hydrochloride
IUPAC Traditional name
isopropylamine hydrochloride
Synonyms
2-Aminopropane hydrochloride
Isopropylamine hydrochloride
CAS Number
15572-56-2
EC Number
239-629-2
PubChem SID
162077475
PubChem CID
6432137

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6432137 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.879705  LogD (pH = 7.4) -2.5821686 
Log P 0.14792411  Molar Refractivity 19.0862 cm3
Polarizability 7.800994 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
160°C expand Show data source
Storage Warning
Harmful/Irritant/Hygroscopic expand Show data source
RTECS
NT9530000 expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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