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819863-00-8 | 1-Propanesulfonic acid, 3-[(1,1-diethyl-2-propynyl)amino]-
CAS No: 819863-00-8 Catalog No: AG005ETS MDL No:
Product Description
Catalog Number:
AG005ETS
Chemical Name:
1-Propanesulfonic acid, 3-[(1,1-diethyl-2-propynyl)amino]-
CAS Number:
819863-00-8
Molecular Formula:
C10H19NO3S
Molecular Weight:
233.3278
IUPAC Name:
3-(3-ethylpent-1-yn-3-ylamino)propane-1-sulfonic acid
InChI:
InChI=1S/C10H19NO3S/c1-4-10(5-2,6-3)11-8-7-9-15(12,13)14/h1,11H,5-9H2,2-3H3,(H,12,13,14)
InChI Key:
MGFJUCIYMORADX-UHFFFAOYSA-N
SMILES:
CCC(C#C)(NCCCS(=O)(=O)O)CC
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.109g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.326g/mol
Monoisotopic Mass:
233.109g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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