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1019567-85-1 | Benzonitrile, 4-[[(1-phenylethyl)amino]methyl]-
CAS No: 1019567-85-1 Catalog No: AG00062A MDL No:
Product Description
Catalog Number:
AG00062A
Chemical Name:
Benzonitrile, 4-[[(1-phenylethyl)amino]methyl]-
CAS Number:
1019567-85-1
Molecular Formula:
C16H16N2
Molecular Weight:
236.3116
IUPAC Name:
4-[(1-phenylethylamino)methyl]benzonitrile;hydrochloride
InChI:
InChI=1S/C16H16N2.ClH/c1-13(16-5-3-2-4-6-16)18-12-15-9-7-14(11-17)8-10-15;/h2-10,13,18H,12H2,1H3;1H
InChI Key:
SDMFWFOKYKXKLM-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)NCc1ccc(cc1)C#N
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.776g/mol
Monoisotopic Mass:
272.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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