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556-53-6 molecular structure
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propan-1-amine hydrochloride

ChemBase ID: 149281
Molecular Formular: C3H10ClN
Molecular Mass: 95.5712
Monoisotopic Mass: 95.05017701
SMILES and InChIs

SMILES:
CCCN.Cl
Canonical SMILES:
CCCN.Cl
InChI:
InChI=1S/C3H9N.ClH/c1-2-3-4;/h2-4H2,1H3;1H
InChIKey:
PYNUOAIJIQGACY-UHFFFAOYSA-N

Cite this record

CBID:149281 http://www.chembase.cn/molecule-149281.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
propan-1-amine hydrochloride
IUPAC Traditional name
propylamine hydrochloride
Synonyms
1-Aminopropane hydrochloride
Propylamine hydrochloride
1-氨基丙烷 盐酸盐
正丙胺 盐酸盐
CAS Number
556-53-6
EC Number
209-129-9
MDL Number
MFCD00012911
PubChem SID
162243449
24854566
PubChem CID
11165

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
242543 external link Add to cart Please log in.
Data Source Data ID
PubChem 11165 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.7702847  LogD (pH = 7.4) -2.355427 
Log P 0.25387147  Molar Refractivity 19.1914 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
160-162 °C(lit.) expand Show data source
RTECS
UI3057000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99% expand Show data source
Linear Formula
CH3CH2CH2NH2·HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 242543 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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