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Home > Nitro Compounds > 400088-91-7
400088-91-7 | 1-(diphenylmethyl)-4-(3-nitropyridin-2-yl)piperazine
CAS No: 400088-91-7 Catalog No: AG00ISLN MDL No:MFCD01936541
Product Description
Catalog Number:
AG00ISLN
Chemical Name:
1-(diphenylmethyl)-4-(3-nitropyridin-2-yl)piperazine
CAS Number:
400088-91-7
Molecular Formula:
C22H22N4O2
Molecular Weight:
374.4357
MDL Number:
MFCD01936541
IUPAC Name:
1-benzhydryl-4-(3-nitropyridin-2-yl)piperazine
InChI:
InChI=1S/C22H22N4O2/c27-26(28)20-12-7-13-23-22(20)25-16-14-24(15-17-25)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21H,14-17H2
InChI Key:
TXJWXRHOZQEWFW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccnc1N1CCN(CC1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.444g/mol
Monoisotopic Mass:
374.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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