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1395493-20-5 | 4-Piperidinecarbonitrile, 4-[(4-bromophenyl)amino]-1-(phenylmethyl)-
CAS No: 1395493-20-5 Catalog No: AG001B8U MDL No:
Product Description
Catalog Number:
AG001B8U
Chemical Name:
4-Piperidinecarbonitrile, 4-[(4-bromophenyl)amino]-1-(phenylmethyl)-
CAS Number:
1395493-20-5
Molecular Formula:
C19H20BrN3
Molecular Weight:
370.2862
IUPAC Name:
1-benzyl-4-(4-bromoanilino)piperidine-4-carbonitrile
InChI:
InChI=1S/C19H20BrN3/c20-17-6-8-18(9-7-17)22-19(15-21)10-12-23(13-11-19)14-16-4-2-1-3-5-16/h1-9,22H,10-14H2
InChI Key:
MGCGEPFSAYSXOO-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)Cc1ccccc1)Nc1ccc(cc1)Br
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.084g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.294g/mol
Monoisotopic Mass:
369.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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