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3-Aminobenzamide

CAT: 0024-sc-3501BSize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-3501BSize:1 g
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CAS Number
3544-24-9

Chemical Information

3-Aminobenzamide

3-aminobenzamide is a substituted aniline that is benzamide in which one of the meta- hydrogens is replaced by an amino group. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor. It is a member of benzamides and a substituted aniline.

CAS Number3544-24-9
PubChem CID1645
IUPAC Name3-aminobenzamide
Molecular FormulaC7H8N2O
Molecular Weight136.15
XLogP-0.5
Topological Polar Surface Area69.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity136
SMILES
C1=CC(=CC(=C1)N)C(=O)N
InChI
InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)
InChIKey
GSCPDZHWVNUUFI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Aminobenzamide
CAS: 3544-24-9
CID: 1645
Formula: C7H8N2O
MW: 136.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.15
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass136.063662883
Monoisotopic Mass136.063662883
Topological Polar Surface Area69.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity136
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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CatalogName
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