Chlorphenoxamine

CAT: 0127-BUP14435-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14435-02Size:10 mg

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CAS Number

77-38-3

Synonyms

Contristamine

Purity

=98%

Smiles

CN(C)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1

Chemical Information

Chlorphenoxamine

Chlorphenoxamine is a diarylmethane. It has a role as an anticoronaviral agent.

CAS Number	77-38-3
PubChem CID	6475
IUPAC Name	2-[1-(4-chlorophenyl)-1-phenylethoxy]-N,N-dimethylethanamine
Molecular Formula	C18H22ClNO
Molecular Weight	303.8
XLogP	4.1
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	296

SMILES

CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCN(C)C

InChI

InChI=1S/C18H22ClNO/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16/h4-12H,13-14H2,1-3H3

InChIKey

KKHPNPMTPORSQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77-38-3

CID: 6475

Formula: C18H22ClNO

MW: 303.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	303.8
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	303.1389920
Monoisotopic Mass	303.1389920
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	296
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-B1607-01	Chlorphenoxamine
444445-01	Chlorphenoxamine Hydrochloride
HY-B1607R	Chlorphenoxamine (Standard)
HY-B1607A	Chlorphenoxamine (hydrochloride)
565443	Chlorphenoxamine HCl