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819863-23-5 | 1-Propanesulfonic acid, 3-[[(1S)-1-cyclohexylethyl]amino]-
CAS No: 819863-23-5 Catalog No: AG005ETO MDL No:
Product Description
Catalog Number:
AG005ETO
Chemical Name:
1-Propanesulfonic acid, 3-[[(1S)-1-cyclohexylethyl]amino]-
CAS Number:
819863-23-5
Molecular Formula:
C11H23NO3S
Molecular Weight:
249.3702
IUPAC Name:
3-[[(1S)-1-cyclohexylethyl]amino]propane-1-sulfonic acid
InChI:
InChI=1S/C11H23NO3S/c1-10(11-6-3-2-4-7-11)12-8-5-9-16(13,14)15/h10-12H,2-9H2,1H3,(H,13,14,15)/t10-/m0/s1
InChI Key:
ISIMAFLHGCNJJX-JTQLQIEISA-N
SMILES:
C[C@@H](C1CCCCC1)NCCCS(=O)(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
249.14g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.369g/mol
Monoisotopic Mass:
249.14g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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