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88915-29-1 | 1,2-Benzenediamine, N-[[1-(phenylmethyl)-4-piperidinyl]methyl]-
CAS No: 88915-29-1 Catalog No: AG004969 MDL No:
Product Description
Catalog Number:
AG004969
Chemical Name:
1,2-Benzenediamine, N-[[1-(phenylmethyl)-4-piperidinyl]methyl]-
CAS Number:
88915-29-1
Molecular Formula:
C19H25N3
Molecular Weight:
295.4219
IUPAC Name:
2-N-[(1-benzylpiperidin-4-yl)methyl]benzene-1,2-diamine
InChI:
InChI=1S/C19H25N3/c20-18-8-4-5-9-19(18)21-14-16-10-12-22(13-11-16)15-17-6-2-1-3-7-17/h1-9,16,21H,10-15,20H2
InChI Key:
MMFHYXMGPZQFGF-UHFFFAOYSA-N
SMILES:
Nc1ccccc1NCC1CCN(CC1)Cc1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.205g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.43g/mol
Monoisotopic Mass:
295.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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