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cis-4-Chloro-2-butenylamine hydrochloride

cis-4-Chloro-2-butenylamine hydrochloride - CAS 7153-66-4

Catalog:	BB034421
Product Name:	cis-4-Chloro-2-butenylamine hydrochloride
CAS:	7153-66-4
Synonyms:	(Z)-4-chlorobut-2-en-1-amine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(Z)-4-chlorobut-2-en-1-amine;hydrochloride
Description:	cis-4-Chloro-2-butenylamine hydrochloride (CAS# 7153-66-4) is a chemokine CXCR4 receptor modulators.
Molecular Weight:	142.03
Molecular Formula:	C4H9Cl2N
Canonical SMILES:	C(C=CCCl)N.Cl
InChI:	InChI=1S/C4H8ClN.ClH/c5-3-1-2-4-6;/h1-2H,3-4,6H2;1H/b2-1-;
InChI Key:	ZGCNYBMDGKVWFH-ODZAUARKSA-N
Boiling Point:	172.5 ℃ at 760 mmHg
Density:	1.022 g/cm³
MDL:	MFCD00239421
LogP:	2.24240

Publication Number	Title	Priority Date
CA-2522535-C	Chemokine receptor binding heterocyclic compounds with enhanced efficacy	20030523
EP-1628533-A2	Chemokine receptor binding heterocyclic compounds with enhanced efficacy	20030523
JP-2007502864-A	Chemokine receptor-bound heterocyclic compounds with enhanced efficacy	20030523
WO-2004106493-A2	Chemokine receptor binding heterocyclic compounds with enhanced efficacy	20030523
AU-2002357379-A1	Chemokine receptor binding heterocyclic compounds with enhanced efficacy	20011221

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Related Functional Groups

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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:	42.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	141.0112047
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	141.0112047
Rotatable Bond Count:	2
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0