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819864-46-5 | 1-Propanesulfonic acid, 3-[[1-methyl-1-(1H-tetrazol-5-yl)ethyl]amino]-
CAS No: 819864-46-5 Catalog No: AG005ETI MDL No:
Product Description
Catalog Number:
AG005ETI
Chemical Name:
1-Propanesulfonic acid, 3-[[1-methyl-1-(1H-tetrazol-5-yl)ethyl]amino]-
CAS Number:
819864-46-5
Molecular Formula:
C7H15N5O3S
Molecular Weight:
249.2907
IUPAC Name:
3-[2-(2H-tetrazol-5-yl)propan-2-ylamino]propane-1-sulfonic acid
InChI:
InChI=1S/C7H15N5O3S/c1-7(2,6-9-11-12-10-6)8-4-3-5-16(13,14)15/h8H,3-5H2,1-2H3,(H,13,14,15)(H,9,10,11,12)
InChI Key:
GAOWOBDPVBHEFN-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCCNC(c1nnn[nH]1)(C)C
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.289g/mol
Monoisotopic Mass:
249.09g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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