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819862-86-7 | 1-Propanesulfonic acid, 3-[(2-methylbutyl)amino]-
CAS No: 819862-86-7 Catalog No: AG0054OG MDL No:
Product Description
Catalog Number:
AG0054OG
Chemical Name:
1-Propanesulfonic acid, 3-[(2-methylbutyl)amino]-
CAS Number:
819862-86-7
Molecular Formula:
C8H19NO3S
Molecular Weight:
209.3064
IUPAC Name:
3-(2-methylbutylamino)propane-1-sulfonic acid
InChI:
InChI=1S/C8H19NO3S/c1-3-8(2)7-9-5-4-6-13(10,11)12/h8-9H,3-7H2,1-2H3,(H,10,11,12)
InChI Key:
CZDRGRUWRYHMHH-UHFFFAOYSA-N
SMILES:
CCC(CNCCCS(=O)(=O)O)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.109g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.304g/mol
Monoisotopic Mass:
209.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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