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Home > Nitro Compounds > 68740-16-9
68740-16-9 | 4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-nitroaniline
CAS No: 68740-16-9 Catalog No: AG00FHVR MDL No:
Product Description
Catalog Number:
AG00FHVR
Chemical Name:
4-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-nitroaniline
CAS Number:
68740-16-9
IUPAC Name:
4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-ethyl-2-nitroaniline
InChI:
InChI=1S/C26H30N4O2/c1-2-27-24-14-13-21(19-25(24)30(31)32)20-28-15-17-29(18-16-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,26-27H,2,15-18,20H2,1H3
InChI Key:
JRGOUUSIGNGBAP-UHFFFAOYSA-N
EC Number:
272-132-9
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.237g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
430.552g/mol
Monoisotopic Mass:
430.237g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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