Home Nitros 1-(3-nitrobenzyl)piperazine hydrochloride

1-(3-nitrobenzyl)piperazine hydrochloride

CAS No.:
1458615-92-3
Catalog Number:
AG00J3QM
Molecular Formula:
C11H16ClN3O2
Molecular Weight:
257.7166
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00J3QM
Chemical Name:
1-(3-nitrobenzyl)piperazine hydrochloride
CAS Number:
1458615-92-3
Molecular Formula:
C11H16ClN3O2
Molecular Weight:
257.7166
MDL Number:
MFCD13186543
IUPAC Name:
1-[(3-nitrophenyl)methyl]piperazine;hydrochloride
InChI:
InChI=1S/C11H15N3O2.ClH/c15-14(16)11-3-1-2-10(8-11)9-13-6-4-12-5-7-13;/h1-3,8,12H,4-7,9H2;1H
InChI Key:
OVVDYGYSNSCOEN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CN1CCNCC1.Cl
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.093g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.718g/mol
Monoisotopic Mass:
257.093g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties