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64-12-0 molecular structure
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1-(4-chlorophenyl)propan-2-amine

ChemBase ID: 128819
Molecular Formular: C9H12ClN
Molecular Mass: 169.65128
Monoisotopic Mass: 169.06582707
SMILES and InChIs

SMILES:
Clc1ccc(cc1)CC(N)C
Canonical SMILES:
CC(Cc1ccc(cc1)Cl)N
InChI:
InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKey:
WWPITPSIWMXDPE-UHFFFAOYSA-N

Cite this record

CBID:128819 http://www.chembase.cn/molecule-128819.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-chlorophenyl)propan-2-amine
IUPAC Traditional name
para-chloroamphetamine
Synonyms
Para-Chloroamphetamine
CAS Number
64-12-0
PubChem SID
162223123
PubChem CID
3127
CHEMBL
358967
Chemspider ID
3015
Wikipedia Title
Para-Chloroamphetamine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.61034775  LogD (pH = 7.4) -0.058343485 
Log P 2.4082952  Molar Refractivity 48.51 cm3
Polarizability 19.161127 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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