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1003565-41-0 | 1-Piperazineethanamine, 4-phenyl-N-(1,2,3,4-tetrahydro-7-nitro-2-naphthalenyl)-
CAS No: 1003565-41-0 Catalog No: AG0001P2 MDL No:
Product Description
Catalog Number:
AG0001P2
Chemical Name:
1-Piperazineethanamine, 4-phenyl-N-(1,2,3,4-tetrahydro-7-nitro-2-naphthalenyl)-
CAS Number:
1003565-41-0
Molecular Formula:
C22H28N4O2
Molecular Weight:
380.4833
IUPAC Name:
7-nitro-N-[2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
InChI:
InChI=1S/C22H28N4O2/c27-26(28)22-9-7-18-6-8-20(16-19(18)17-22)23-10-11-24-12-14-25(15-13-24)21-4-2-1-3-5-21/h1-5,7,9,17,20,23H,6,8,10-16H2
InChI Key:
YCHUTWOBJZBSGG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)CC(CC2)NCCN1CCN(CC1)c1ccccc1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.221g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.492g/mol
Monoisotopic Mass:
380.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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