200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 87887-48-7
87887-48-7 | Piperazine, 1-(diphenylmethyl)-4-hexyl-, compd. with 2,4,6-trinitrophenol
CAS No: 87887-48-7 Catalog No: AG004IJO MDL No:
Product Description
Catalog Number:
AG004IJO
Chemical Name:
Piperazine, 1-(diphenylmethyl)-4-hexyl-, compd. with 2,4,6-trinitrophenol
CAS Number:
87887-48-7
Molecular Formula:
C29H35N5O7
Molecular Weight:
565.6175
IUPAC Name:
1-benzhydryl-4-hexylpiperazine;2,4,6-trinitrophenol
InChI:
InChI=1S/C23H32N2.C6H3N3O7/c1-2-3-4-11-16-24-17-19-25(20-18-24)23(21-12-7-5-8-13-21)22-14-9-6-10-15-22;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h5-10,12-15,23H,2-4,11,16-20H2,1H3;1-2,10H
InChI Key:
FYWYVGNZKVGRMH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.CCCCCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
565.254g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
565.627g/mol
Monoisotopic Mass:
565.254g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.