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1286264-78-5 | 4-Piperidinemethanamine, N-(2-nitrophenyl)-, hydrochloride (1:1)
CAS No: 1286264-78-5 Catalog No: AG000Y8S MDL No:MFCD17014166
Product Description
Catalog Number:
AG000Y8S
Chemical Name:
4-Piperidinemethanamine, N-(2-nitrophenyl)-, hydrochloride (1:1)
CAS Number:
1286264-78-5
Molecular Formula:
C12H18ClN3O2
Molecular Weight:
271.7432
MDL Number:
MFCD17014166
IUPAC Name:
2-nitro-N-(piperidin-4-ylmethyl)aniline;hydrochloride
InChI:
InChI=1S/C12H17N3O2.ClH/c16-15(17)12-4-2-1-3-11(12)14-9-10-5-7-13-8-6-10;/h1-4,10,13-14H,5-9H2;1H
InChI Key:
LYUKINGRJHXLME-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1NCC1CCNCC1.Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.745g/mol
Monoisotopic Mass:
271.109g/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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