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Home > Nitro Compounds > 939954-34-4
939954-34-4 | N-isopropyl-2-nitro-5-piperazin-1-ylaniline hydrochloride
CAS No: 939954-34-4 Catalog No: AG00JGQL MDL No:MFCD06666760
Product Description
Catalog Number:
AG00JGQL
Chemical Name:
N-isopropyl-2-nitro-5-piperazin-1-ylaniline hydrochloride
CAS Number:
939954-34-4
Molecular Formula:
C13H20N4O2
Molecular Weight:
264.3235
MDL Number:
MFCD06666760
IUPAC Name:
2-nitro-5-piperazin-1-yl-N-propan-2-ylaniline;hydrochloride
InChI:
InChI=1S/C13H20N4O2.ClH/c1-10(2)15-12-9-11(3-4-13(12)17(18)19)16-7-5-14-6-8-16;/h3-4,9-10,14-15H,5-8H2,1-2H3;1H
InChI Key:
VSDFOWAPGINDHN-UHFFFAOYSA-N
SMILES:
CC(Nc1cc(ccc1[N+](=O)[O-])N1CCNCC1)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.787g/mol
Monoisotopic Mass:
300.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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