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87044-34-6 | 1-Propanesulfonic acid, 3-[(3-nitrophenyl)propylamino]-
CAS No: 87044-34-6 Catalog No: AG004NJ8 MDL No:
Product Description
Catalog Number:
AG004NJ8
Chemical Name:
1-Propanesulfonic acid, 3-[(3-nitrophenyl)propylamino]-
CAS Number:
87044-34-6
Molecular Formula:
C12H18N2O5S
Molecular Weight:
302.3467
IUPAC Name:
3-[3-(3-nitrophenyl)propylamino]propane-1-sulfonic acid
InChI:
InChI=1S/C12H18N2O5S/c15-14(16)12-6-1-4-11(10-12)5-2-7-13-8-3-9-20(17,18)19/h1,4,6,10,13H,2-3,5,7-9H2,(H,17,18,19)
InChI Key:
QWLDZSABBNMSPB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CCCNCCCS(=O)(=O)O
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.345g/mol
Monoisotopic Mass:
302.094g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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