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Home > Nitro Compounds > 827614-55-1
827614-55-1 | 1-(3-Nitrobenzyl)piperazine dihydrochloride
CAS No: 827614-55-1 Catalog No: AG00G4IH MDL No:MFCD04972580
Product Description
Catalog Number:
AG00G4IH
Chemical Name:
1-(3-Nitrobenzyl)piperazine dihydrochloride
CAS Number:
827614-55-1
Molecular Formula:
C11H17Cl2N3O2
Molecular Weight:
294.1776
MDL Number:
MFCD04972580
IUPAC Name:
1-[(3-nitrophenyl)methyl]piperazine;dihydrochloride
InChI:
InChI=1S/C11H15N3O2.2ClH/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;2*1H
InChI Key:
BGYFKQBZFDFBMO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CN1CCNCC1.Cl.Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.176g/mol
Monoisotopic Mass:
293.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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