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4548-34-9 molecular structure
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(1S,2R)-2-phenylcyclopropan-1-amine hydrochloride

ChemBase ID: 313044
Molecular Formular: C9H12ClN
Molecular Mass: 169.65128
Monoisotopic Mass: 169.06582707
SMILES and InChIs

SMILES:
Cl.c1cccc(c1)[C@@H]1[C@H](C1)N
Canonical SMILES:
N[C@H]1C[C@@H]1c1ccccc1.Cl
InChI:
InChI=1S/C9H11N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h1-5,8-9H,6,10H2;1H/t8-,9+;/m1./s1
InChIKey:
ZPEFMSTTZXJOTM-RJUBDTSPSA-N

Cite this record

CBID:313044 http://www.chembase.cn/molecule-313044.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S,2R)-2-phenylcyclopropan-1-amine hydrochloride
IUPAC Traditional name
(1S,2R)-2-phenylcyclopropan-1-amine hydrochloride
Synonyms
Tranylcypromine (2-PCPA) HCl
CAS Number
4548-34-9

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S4246 external link Add to cart
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.6602782  LogD (pH = 7.4) -0.82371813 
Log P 1.3388824  Molar Refractivity 41.6966 cm3
Polarizability 16.617031 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
Others 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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