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N-Benzylbenzamide

CAT: 0926-FB68069-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FB68069-01Size:50 g
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CAS Number
1485-70-7
MDL Number
MFCD00003070
Smiles
C1=CC=C (C=C1) CNC (=O) C2=CC=CC=C2
Molecular Formula
C14H13NO
Molecular Weight
211.26 g/mol
Controlled
No

Chemical Information

N-Benzoylbenzylamine
CAS Number1485-70-7
PubChem CID73878
IUPAC NameN-benzylbenzamide
Molecular FormulaC14H13NO
Molecular Weight211.26
XLogP2.2
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity215
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10H,11H2,(H,15,16)
InChIKey
LKQUCICFTHBFAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Benzoylbenzylamine
CAS: 1485-70-7
CID: 73878
Formula: C14H13NO
MW: 211.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight211.26
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass211.099714038
Monoisotopic Mass211.099714038
Topological Polar Surface Area29.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity215
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