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67376-94-7 molecular structure
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N-methylcyclopropanamine hydrochloride

ChemBase ID: 70971
Molecular Formular: C4H10ClN
Molecular Mass: 107.5819
Monoisotopic Mass: 107.05017701
SMILES and InChIs

SMILES:
C1(CC1)NC.Cl
Canonical SMILES:
CNC1CC1.Cl
InChI:
InChI=1S/C4H9N.ClH/c1-5-4-2-3-4;/h4-5H,2-3H2,1H3;1H
InChIKey:
YCWKZLXTHMGYAO-UHFFFAOYSA-N

Cite this record

CBID:70971 http://www.chembase.cn/molecule-70971.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methylcyclopropanamine hydrochloride
IUPAC Traditional name
N-methylcyclopropanamine hydrochloride
Synonyms
N-Cyclopropylmethylamine hydrochloride
N-Methylcyclopropanamine hydrochloride
N-cyclopropyl-N-methylamine hydrochloride
CAS Number
67376-94-7
MDL Number
MFCD09997746
PubChem SID
162036679
PubChem CID
18546974

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.9536657  LogD (pH = 7.4) -2.3767674 
Log P 0.27268606  Molar Refractivity 21.9046 cm3
Polarizability 8.905697 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Hydrophobicity(logP)
-0.164 expand Show data source
Storage Warning
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
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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