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1417793-50-0 | 4-Piperidinamine, 1-(3-methoxy-4-nitrophenyl)-N-methyl-, hydrochloride (1:1)
CAS No: 1417793-50-0 Catalog No: AG001H43 MDL No:MFCD22631636
Product Description
Catalog Number:
AG001H43
Chemical Name:
4-Piperidinamine, 1-(3-methoxy-4-nitrophenyl)-N-methyl-, hydrochloride (1:1)
CAS Number:
1417793-50-0
Molecular Formula:
C13H20ClN3O3
Molecular Weight:
301.7692
MDL Number:
MFCD22631636
IUPAC Name:
1-(3-methoxy-4-nitrophenyl)-N-methylpiperidin-4-amine;hydrochloride
InChI:
InChI=1S/C13H19N3O3.ClH/c1-14-10-5-7-15(8-6-10)11-3-4-12(16(17)18)13(9-11)19-2;/h3-4,9-10,14H,5-8H2,1-2H3;1H
InChI Key:
QXZXXEUJXSCLDW-UHFFFAOYSA-N
SMILES:
CNC1CCN(CC1)c1ccc(c(c1)OC)[N+](=O)[O-].Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.119g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.771g/mol
Monoisotopic Mass:
301.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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