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819864-47-6 | 1-Propanesulfonic acid, 3-[[1-(1H-tetrazol-5-yl)cyclohexyl]amino]-
CAS No: 819864-47-6 Catalog No: AG004Z2V MDL No:
Product Description
Catalog Number:
AG004Z2V
Chemical Name:
1-Propanesulfonic acid, 3-[[1-(1H-tetrazol-5-yl)cyclohexyl]amino]-
CAS Number:
819864-47-6
Molecular Formula:
C10H19N5O3S
Molecular Weight:
289.3546
IUPAC Name:
3-[[1-(2H-tetrazol-5-yl)cyclohexyl]amino]propane-1-sulfonic acid
InChI:
InChI=1S/C10H19N5O3S/c16-19(17,18)8-4-7-11-10(5-2-1-3-6-10)9-12-14-15-13-9/h11H,1-8H2,(H,16,17,18)(H,12,13,14,15)
InChI Key:
AKFDSKANFFSNLP-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCCNC1(CCCCC1)c1nnn[nH]1
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.354g/mol
Monoisotopic Mass:
289.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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