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77499-86-6 | Benzenemethanamine, N-[(2E)-3-phenyl-2-propenylidene]-
CAS No: 77499-86-6 Catalog No: AG005HGD MDL No:
Product Description
Catalog Number:
AG005HGD
Chemical Name:
Benzenemethanamine, N-[(2E)-3-phenyl-2-propenylidene]-
CAS Number:
77499-86-6
Molecular Formula:
C16H15N
Molecular Weight:
221.2970
IUPAC Name:
N-benzyl-3-phenylprop-2-en-1-imine
InChI:
InChI=1S/C16H15N/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-13H,14H2
InChI Key:
VMXASONEHFWNLP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)/C=C/C=NCc1ccccc1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.303g/mol
Monoisotopic Mass:
221.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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