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1-(2-Chlorophenyl)cyclopropanamine

1-(2-Chlorophenyl)cyclopropanamine - CAS 870708-39-7

Catalog:	BB038232
Product Name:	1-(2-Chlorophenyl)cyclopropanamine
CAS:	870708-39-7
Synonyms:	1-(2-chlorophenyl)-1-cyclopropanamine; 1-(2-chlorophenyl)cyclopropan-1-amine

Technical Data

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Computed Properties

IUPAC Name:	1-(2-chlorophenyl)cyclopropan-1-amine
Description:	1-(2-Chlorophenyl)cyclopropanamine (CAS# 870708-39-7) is a useful research chemical.
Molecular Weight:	167.64
Molecular Formula:	C9H10ClN
Canonical SMILES:	C1CC1(C2=CC=CC=C2Cl)N
InChI:	InChI=1S/C9H10ClN/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4H,5-6,11H2
InChI Key:	YBGXYERMKZBANM-UHFFFAOYSA-N
Boiling Point:	251.4 °C at 760 mmHg
Density:	1.238 g/cm³
LogP:	2.98810

Publication Number	Title	Priority Date
US-2018305354-A1	COMT Inhibiting Methods and Compositions	20151125
US-10934283-B2	COMT inhibiting methods and compositions	20151125
US-2021139479-A1	COMT Inhibiting Methods and Compositions	20151125
ES-2641172-T3	Benzimidazolyl-methyl urea derivatives as ALX receptor agonists	20130809
EP-3016951-B1	Tricyclic pyrido-carboxamide derivatives as rock inhibitors	20130702

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0501770
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.0501770
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8