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849035-94-5 | 4-Piperidinamine,N-[4-(methylsulfonyl)-2-nitrophenyl]-
CAS No: 849035-94-5 Catalog No: AG004Q1G MDL No:MFCD04037967
Product Description
Catalog Number:
AG004Q1G
Chemical Name:
4-Piperidinamine,N-[4-(methylsulfonyl)-2-nitrophenyl]-
CAS Number:
849035-94-5
Molecular Formula:
C12H17N3O4S
Molecular Weight:
299.3461
MDL Number:
MFCD04037967
IUPAC Name:
N-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-amine
InChI:
InChI=1S/C12H17N3O4S/c1-20(18,19)10-2-3-11(12(8-10)15(16)17)14-9-4-6-13-7-5-9/h2-3,8-9,13-14H,4-7H2,1H3
InChI Key:
ULSPPJWACQMNOF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NC1CCNCC1)S(=O)(=O)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.345g/mol
Monoisotopic Mass:
299.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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