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Home > Nitro Compounds > 88372-32-1
88372-32-1 | Piperazine, 1-(diphenylmethyl)-4-ethyl-, compd. with 2,4,6-trinitrophenol
CAS No: 88372-32-1 Catalog No: AG004MAO MDL No:
Product Description
Catalog Number:
AG004MAO
Chemical Name:
Piperazine, 1-(diphenylmethyl)-4-ethyl-, compd. with 2,4,6-trinitrophenol
CAS Number:
88372-32-1
Molecular Formula:
C25H27N5O7
Molecular Weight:
509.5112
IUPAC Name:
1-benzhydryl-4-ethylpiperazine;2,4,6-trinitrophenol
InChI:
InChI=1S/C19H24N2.C6H3N3O7/c1-2-20-13-15-21(16-14-20)19(17-9-5-3-6-10-17)18-11-7-4-8-12-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-12,19H,2,13-16H2,1H3;1-2,10H
InChI Key:
SRFFWUPVTSAIPW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.191g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
509.519g/mol
Monoisotopic Mass:
509.191g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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