Bromhexine EP Impurity F

CAT: 1299-RM-B082406-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B082406-01Size:10 mg

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CAS Number

1660957-78-7

Synonyms

2,4-dibromo-6- ((cyclohexylamino) methyl) aniline hydrochloride

Molecular Formula

C13H18Br2N2 HCl

Molecular Weight

362.11 36.46

Target Alternative Name

Bromhexine

Product Name Synonym

2,4-dibromo-6- ((cyclohexylamino) methyl) aniline hydrochloride

Chemical Information

2,4-Dibromo-6-((cyclohexylamino)methyl)aniline hydrochloride

CAS Number	1660957-78-7
PubChem CID	23065654
IUPAC Name	2,4-dibromo-6-[(cyclohexylamino)methyl]aniline;hydrochloride
Molecular Formula	C13H19Br2ClN2
Molecular Weight	398.56
Topological Polar Surface Area	38.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	231

SMILES

C1CCC(CC1)NCC2=C(C(=CC(=C2)Br)Br)N.Cl

InChI

InChI=1S/C13H18Br2N2.ClH/c14-10-6-9(13(16)12(15)7-10)8-17-11-4-2-1-3-5-11;/h6-7,11,17H,1-5,8,16H2;1H

InChIKey

JVFUMFGELYZATO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1660957-78-7

CID: 23065654

Formula: C13H19Br2ClN2

MW: 398.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	398.56
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	397.95830
Monoisotopic Mass	395.96035
Topological Polar Surface Area	38.1 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
RM-A130201-01	Ambroxol EP Impurity A; Bromhexine EP Impurity A
RM-B082404-01	Bromhexine EP Impurity D
RM-B082409-01	Bromhexine EP Impurity I
RM-B082403-01	Bromhexine EP Impurity C
RM-B082405-01	Bromhexine EP Impurity E
RM-A130205-01	Ambroxol EP Impurity E; Bromhexine EP Impurity B
RM-T162006-01	Tryptophan EP Impurity F; N-Acetyltryptophan EP Impurity F
RM-A262006-01	Azathioprine EP Impurity F; Didanosine EP Impurity A
RM-D080802-01	Diphenhydramine EP Impurity A; Dimenhydrinate EP Impurity F
RM-U190406-01	Ursodeoxycholic Acid EP Impurity F; Chenodeoxycholic acid EP Impurity F