N, N-Dibenzylacrylamide

CAT: 0926-HCA62528-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-HCA62528-01Size:0.5 g

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CAS Number

57625-28-2

MDL Number

MFCD00585055

Smiles

C=CC (=O) N (CC1=CC=CC=C1) CC2=CC=CC=C2

Molecular Formula

C17H17NO

Molecular Weight

251.32 g/mol

Controlled

Chemical Information

N,N-Dibenzylacrylamide

CAS Number	57625-28-2
PubChem CID	10999503
IUPAC Name	N,N-dibenzylprop-2-enamide
Molecular Formula	C17H17NO
Molecular Weight	251.32
XLogP	3.3
Topological Polar Surface Area	20.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	268

SMILES

C=CC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C17H17NO/c1-2-17(19)18(13-15-9-5-3-6-10-15)14-16-11-7-4-8-12-16/h2-12H,1,13-14H2

InChIKey

MIVGZOMJVVQBAO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 57625-28-2

CID: 10999503

Formula: C17H17NO

MW: 251.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.32
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	251.131014166
Monoisotopic Mass	251.131014166
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	268
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	1
Compound Is Canonicalized	Yes

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