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84255-00-5 | 4-Piperidinecarbonitrile,4-[(2-chlorophenyl)amino]-1-(phenylmethyl)-
CAS No: 84255-00-5 Catalog No: AG004U6W MDL No:
Product Description
Catalog Number:
AG004U6W
Chemical Name:
4-Piperidinecarbonitrile,4-[(2-chlorophenyl)amino]-1-(phenylmethyl)-
CAS Number:
84255-00-5
Molecular Formula:
C19H20ClN3
Molecular Weight:
325.8352
IUPAC Name:
1-benzyl-4-(2-chloroanilino)piperidine-4-carbonitrile
InChI:
InChI=1S/C19H20ClN3/c20-17-8-4-5-9-18(17)22-19(15-21)10-12-23(13-11-19)14-16-6-2-1-3-7-16/h1-9,22H,10-14H2
InChI Key:
TVNMBSRPUFFJBV-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)Cc1ccccc1)Nc1ccccc1Cl
EC Number:
282-547-7
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.135g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.84g/mol
Monoisotopic Mass:
325.135g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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