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Benzamil

CAT: 0127-BUP10313-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10313-02Size:10 mg
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CAS Number
2898-76-2
Synonyms
Benzamil (hydrochloride)
Purity
=98%
Smiles
C(NC(NCC1=CC=CC=C1)=N)(=O)C=2C(N)=NC(N)=C(Cl)N2

Chemical Information

Benzamil

Benzamil is a member of guanidines and a member of pyrazines.

CAS Number2898-76-2
PubChem CID108107
IUPAC Name3,5-diamino-N-(N'-benzylcarbamimidoyl)-6-chloropyrazine-2-carboxamide
Molecular FormulaC13H14ClN7O
Molecular Weight319.75
XLogP1.7
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity413
SMILES
C1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
InChI
InChI=1S/C13H14ClN7O/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)
InChIKey
KXDROGADUISDGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzamil
CAS: 2898-76-2
CID: 108107
Formula: C13H14ClN7O
MW: 319.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.75
XLogP31.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass319.0948358
Monoisotopic Mass319.0948358
Topological Polar Surface Area145 Ų
Heavy Atom Count22
Formal Charge0
Complexity413
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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