Benzamil•HCl

CAT: 0024-sc-201070Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-201070Size:50 mg

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CAS Number

161804-20-2

Chemical Information

Benzamil hydrochloride

CAS Number	161804-20-2
PubChem CID	5702295
IUPAC Name	3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide;hydrochloride
Molecular Formula	C13H15Cl2N7O
Molecular Weight	356.2
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	413

SMILES

C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N.Cl

InChI

InChI=1S/C13H14ClN7O.ClH/c14-9-11(16)20-10(15)8(19-9)12(22)21-13(17)18-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H4,15,16,20)(H3,17,18,21,22);1H

InChIKey

ZNWMRWWNJBXNKJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161804-20-2

CID: 5702295

Formula: C13H15Cl2N7O

MW: 356.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	355.0715135
Monoisotopic Mass	355.0715135
Topological Polar Surface Area	145 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	413
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

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