2-(4-Chlorophenyl)cyclopropanamine

HCID 3017232
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Basic information

CAS
61114-41-8
Standard SMILES
NC1CC1c1ccc(Cl)cc1
InChIKey
VQLXPSANRSPTEZ-UHFFFAOYSA-N
Molecular formula
C9H10ClN
Average molar mass
167.63 g/mol
Monoisotopic mass
167.050177

Overview

RN given refers to parent cpd without isomeric designation; structure given in first source

Names & identifiers

Preferred name
2-(4-Chlorophenyl)cyclopropanamine
IUPAC
2-(4-chlorophenyl)cyclopropan-1-amine
English name
2-(4-chlorophenyl)cyclopropylamine
Molecular formula
C9H10ClN
Molecular weight
167.64

Names & synonyms

61114-41-82-(4-chlorophenyl)cyclopropanamine2-(4-Chlorophenyl)cyclopropylamine2-(p-Chlorophenyl)cyclopropylamineRefChem:9093252-Pcca2-(4-chlorophenyl)cyclopropan-1-aminetrans-2-(4-Chloro-phenyl)-cyclopropylamineSCHEMBL2835482DTXSID20976632VQLXPSANRSPTEZ-UHFFFAOYSA-N209738-24-9
Show more names
AKOS005217955Cyclopropanamine, 2-(4-chlorophenyl)-SB32821DA-28194CS-0454152(1S,2R)-2-(4-chlorophenyl)cyclopropanamineEN300-148087cyclopropane, trans-1-amino-2-(4-chloro)phenyl-

Database identifiers

CAS
61114-41-8
PubChem CID
3017232
DTXSID
DTXSID20976632
Nikkaji
J389.168B

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Boiling point
252.3 · 252.3±40.0 °C(Predicted)
Density
1.224 · 1.224±0.06 g/cm3(Predicted)
pka
8.14 · 8.14±0.10(Predicted)

Chemistry & industry

Suppliers2 total

南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
上海智乾生物科技有限公司[email protected]

Related reactions

2 records
New reaction record

Compound notes

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