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4- (Ethylamino) benzamide

CAT: 0926-HJB48719-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-HJB48719-01Size:50 mg
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CAS Number
857487-19-5
MDL Number
MFCD11143137
Smiles
CCNC1=CC=C (C=C1) C (=O) N
Molecular Formula
C9H12N2O
Molecular Weight
164.2 g/mol
Controlled
No

Chemical Information

4-(Ethylamino)benzamide
CAS Number857487-19-5
PubChem CID22154504
IUPAC Name4-(ethylamino)benzamide
Molecular FormulaC9H12N2O
Molecular Weight164.20
XLogP1.4
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CCNC1=CC=C(C=C1)C(=O)N
InChI
InChI=1S/C9H12N2O/c1-2-11-8-5-3-7(4-6-8)9(10)12/h3-6,11H,2H2,1H3,(H2,10,12)
InChIKey
QCOKLWDLTZBWLA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Ethylamino)benzamide
CAS: 857487-19-5
CID: 22154504
Formula: C9H12N2O
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.094963011
Monoisotopic Mass164.094963011
Topological Polar Surface Area55.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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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MBS57790574-(3-(2-Hydroxy-2-phenyl)ethylamino-3-methylbutyl)benzamide
sc-331271N-Cyclopropyl-3-{5-[ (ethylamino) methyl]-1,2,4-oxadiazol-3-yl}benzamide
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