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972-20-3 | 1-BENZYL-4-[(4-CHLOROPHENYL)AMINO]PIPERIDINE-4-CARBONITRILE
CAS No: 972-20-3 Catalog No: AG006D5F MDL No:
Product Description
Catalog Number:
AG006D5F
Chemical Name:
1-BENZYL-4-[(4-CHLOROPHENYL)AMINO]PIPERIDINE-4-CARBONITRILE
CAS Number:
972-20-3
Molecular Formula:
C19H20ClN3
Molecular Weight:
325.8352
IUPAC Name:
1-benzyl-4-(4-chloroanilino)piperidine-4-carbonitrile
InChI:
InChI=1S/C19H20ClN3/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:
VVMOFVNFPBAHLP-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)Cc1ccccc1)Nc1ccc(cc1)Cl
EC Number:
213-545-6
NSC Number:
73396
Properties
Complexity:
408
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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