1-(2-Bromophenyl)cyclopropanamine - CAS 604799-96-4

Catalog:	BB030699
Product Name:	1-(2-Bromophenyl)cyclopropanamine
CAS:	604799-96-4
Synonyms:	1-(2-bromophenyl)-1-cyclopropanamine; 1-(2-bromophenyl)cyclopropan-1-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-bromophenyl)cyclopropan-1-amine
Description:	1-(2-Bromophenyl)cyclopropanamine (CAS# 604799-96-4 ) is a useful research chemical.
Molecular Weight:	212.09
Molecular Formula:	C9H10BrN
Canonical SMILES:	C1CC1(C2=CC=CC=C2Br)N
InChI:	InChI=1S/C9H10BrN/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4H,5-6,11H2
InChI Key:	ZNEIQQJRUBZVCL-UHFFFAOYSA-N
Boiling Point:	272.817 °C at 760 mmHg
Density:	1.519 g/cm³
LogP:	3.09720

Publication Number	Title	Priority Date
WO-2021071843-A1	Muscarinic acetylcholine m1 receptor antagonists	20191007
WO-2020221826-A1	Novel indole-2-carboxamides active against the hepatitis b virus (hbv)	20190430
TW-202106687-A	Novel indole-2-carboxamides active against the hepatitis b virus (hbv)	20190430
AU-2017371674-A1	Benzenesulfonamide compounds and their use as therapeutic agents	20161209
BR-112019011121-A2	benzenesulfonamide compounds and their use as therapeutic agents	20161209

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P322, P330, P337+P313, P363, 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:	210.99966
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.99966
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8