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672302-35-1 molecular structure
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N-ethylcyclopropanamine hydrochloride

ChemBase ID: 256731
Molecular Formular: C5H12ClN
Molecular Mass: 121.60848
Monoisotopic Mass: 121.06582707
SMILES and InChIs

SMILES:
C1(CC1)NCC.Cl
Canonical SMILES:
CCNC1CC1.Cl
InChI:
InChI=1S/C5H11N.ClH/c1-2-6-5-3-4-5;/h5-6H,2-4H2,1H3;1H
InChIKey:
MTOBNCBJZWOLCJ-UHFFFAOYSA-N

Cite this record

CBID:256731 http://www.chembase.cn/molecule-256731.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-ethylcyclopropanamine hydrochloride
IUPAC Traditional name
N-ethylcyclopropanamine hydrochloride
Synonyms
N-cyclopropyl-N-ethylamine hydrochloride
CAS Number
672302-35-1
MDL Number
MFCD11099458
PubChem SID
164312641
PubChem CID
43810659

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-36916 external link Add to cart Please log in.
Data Source Data ID
PubChem 43810659 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.5987866  LogD (pH = 7.4) -2.062333 
Log P 0.629494  Molar Refractivity 26.6532 cm3
Polarizability 10.75224 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
133 - 135°C expand Show data source
Hydrophobicity(logP)
0.365 expand Show data source
Purity
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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