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42390-64-7 molecular structure
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1-cyclopropylethan-1-amine hydrochloride

ChemBase ID: 30606
Molecular Formular: C5H12ClN
Molecular Mass: 121.60848
Monoisotopic Mass: 121.06582707
SMILES and InChIs

SMILES:
C1(CC1)C(N)C.Cl
Canonical SMILES:
CC(C1CC1)N.Cl
InChI:
InChI=1S/C5H11N.ClH/c1-4(6)5-2-3-5;/h4-5H,2-3,6H2,1H3;1H
InChIKey:
WZWFMMNJURDPFP-UHFFFAOYSA-N

Cite this record

CBID:30606 http://www.chembase.cn/molecule-30606.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-cyclopropylethan-1-amine hydrochloride
IUPAC Traditional name
1-cyclopropylethanamine hydrochloride
Synonyms
1-Cyclopropylethylamine hydrochloride
1-cyclopropylethanamine hydrochloride
1-Cyclopropyl-ethylamine hydrochloride
CAS Number
42390-64-7
MDL Number
MFCD06685893
PubChem SID
160993913
PubChem CID
16247869

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16247869 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.4562607  LogD (pH = 7.4) -2.171581 
Log P 0.5716934  Molar Refractivity 26.2796 cm3
Polarizability 10.75224 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
167 - 169°C expand Show data source
Hydrophobicity(logP)
0.618 expand Show data source
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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