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1233955-00-4 | N-(3-Nitrobenzyl)piperidine-4-amine dihydrochloride
CAS No: 1233955-00-4 Catalog No: AG01F8PK MDL No:
Product Description
Catalog Number:
AG01F8PK
Chemical Name:
N-(3-Nitrobenzyl)piperidine-4-amine dihydrochloride
CAS Number:
1233955-00-4
Molecular Formula:
C12H19Cl2N3O2
Molecular Weight:
308.2042
IUPAC Name:
N-[(3-nitrophenyl)methyl]piperidin-4-amine;dihydrochloride
InChI:
InChI=1S/C12H17N3O2.2ClH/c16-15(17)12-3-1-2-10(8-12)9-14-11-4-6-13-7-5-11;;/h1-3,8,11,13-14H,4-7,9H2;2*1H
InChI Key:
XNBSJUHPVGNKPJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CNC1CCNCC1.Cl.Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.085g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
308.203g/mol
Monoisotopic Mass:
307.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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