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819864-52-3 | 1-Propanesulfonic acid, 3-[[1-(1H-tetrazol-5-yl)cyclopentyl]amino]-
CAS No: 819864-52-3 Catalog No: AG004Z2T MDL No:
Product Description
Catalog Number:
AG004Z2T
Chemical Name:
1-Propanesulfonic acid, 3-[[1-(1H-tetrazol-5-yl)cyclopentyl]amino]-
CAS Number:
819864-52-3
Molecular Formula:
C9H17N5O3S
Molecular Weight:
275.3280
IUPAC Name:
3-[[1-(2H-tetrazol-5-yl)cyclopentyl]amino]propane-1-sulfonic acid
InChI:
InChI=1S/C9H17N5O3S/c15-18(16,17)7-3-6-10-9(4-1-2-5-9)8-11-13-14-12-8/h10H,1-7H2,(H,15,16,17)(H,11,12,13,14)
InChI Key:
GFPCRSWFDYKFBM-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCCNC1(CCCC1)c1nnn[nH]1
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
275.327g/mol
Monoisotopic Mass:
275.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
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