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1417793-00-0 | 2-Piperidinemethanamine, 1-[(3-bromophenyl)sulfonyl]-, hydrochloride (1:1)
CAS No: 1417793-00-0 Catalog No: AG001H3K MDL No:
Product Description
Catalog Number:
AG001H3K
Chemical Name:
2-Piperidinemethanamine, 1-[(3-bromophenyl)sulfonyl]-, hydrochloride (1:1)
CAS Number:
1417793-00-0
Molecular Formula:
C12H18BrClN2O2S
Molecular Weight:
369.7055
IUPAC Name:
[1-(3-bromophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
InChI:
InChI=1S/C12H17BrN2O2S.ClH/c13-10-4-3-6-12(8-10)18(16,17)15-7-2-1-5-11(15)9-14;/h3-4,6,8,11H,1-2,5,7,9,14H2;1H
InChI Key:
PXTOCMBIRQHPBC-UHFFFAOYSA-N
SMILES:
NCC1CCCCN1S(=O)(=O)c1cccc(c1)Br.Cl
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.702g/mol
Monoisotopic Mass:
367.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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