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1417793-35-1 | 4-Piperidinamine, 1-(3-methoxy-4-nitrophenyl)-, hydrochloride (1:1)
CAS No: 1417793-35-1 Catalog No: AG001H31 MDL No:MFCD22631639
Product Description
Catalog Number:
AG001H31
Chemical Name:
4-Piperidinamine, 1-(3-methoxy-4-nitrophenyl)-, hydrochloride (1:1)
CAS Number:
1417793-35-1
Molecular Formula:
C12H18ClN3O3
Molecular Weight:
287.7426
MDL Number:
MFCD22631639
IUPAC Name:
1-(3-methoxy-4-nitrophenyl)piperidin-4-amine;hydrochloride
InChI:
InChI=1S/C12H17N3O3.ClH/c1-18-12-8-10(2-3-11(12)15(16)17)14-6-4-9(13)5-7-14;/h2-3,8-9H,4-7,13H2,1H3;1H
InChI Key:
MYDXFTIKUZPHGJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])N1CCC(CC1)N.Cl
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.744g/mol
Monoisotopic Mass:
287.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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