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1417793-80-6 | 4-Piperidinemethanamine, 1-(3-methoxy-4-nitrophenyl)-, hydrochloride (1:1)
CAS No: 1417793-80-6 Catalog No: AG001H4S MDL No:MFCD22631638
Product Description
Catalog Number:
AG001H4S
Chemical Name:
4-Piperidinemethanamine, 1-(3-methoxy-4-nitrophenyl)-, hydrochloride (1:1)
CAS Number:
1417793-80-6
Molecular Formula:
C13H20ClN3O3
Molecular Weight:
301.7692
MDL Number:
MFCD22631638
IUPAC Name:
[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]methanamine;hydrochloride
InChI:
InChI=1S/C13H19N3O3.ClH/c1-19-13-8-11(2-3-12(13)16(17)18)15-6-4-10(9-14)5-7-15;/h2-3,8,10H,4-7,9,14H2,1H3;1H
InChI Key:
RPFKHABATMQCHL-UHFFFAOYSA-N
SMILES:
NCC1CCN(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:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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