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819864-38-5 | 1-Propanesulfonic acid, 3-[(1-cyano-1-methylethyl)amino]-
CAS No: 819864-38-5 Catalog No: AG0054OA MDL No:
Product Description
Catalog Number:
AG0054OA
Chemical Name:
1-Propanesulfonic acid, 3-[(1-cyano-1-methylethyl)amino]-
CAS Number:
819864-38-5
Molecular Formula:
C7H14N2O3S
Molecular Weight:
206.2627
IUPAC Name:
3-(2-cyanopropan-2-ylamino)propane-1-sulfonic acid
InChI:
InChI=1S/C7H14N2O3S/c1-7(2,6-8)9-4-3-5-13(10,11)12/h9H,3-5H2,1-2H3,(H,10,11,12)
InChI Key:
VVXYXRWXKKYLBO-UHFFFAOYSA-N
SMILES:
N#CC(NCCCS(=O)(=O)O)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.073g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.26g/mol
Monoisotopic Mass:
206.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
98.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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