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1135-40-6 | 1-Propanesulfonic acid, 3-(cyclohexylamino)-
CAS No: 1135-40-6 Catalog No: AG0008SA MDL No:MFCD00003837
Product Description
Catalog Number:
AG0008SA
Chemical Name:
1-Propanesulfonic acid, 3-(cyclohexylamino)-
CAS Number:
1135-40-6
Molecular Formula:
C9H19NO3S
Molecular Weight:
221.3171
MDL Number:
MFCD00003837
IUPAC Name:
3-(cyclohexylamino)propane-1-sulfonic acid
InChI:
InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)
InChI Key:
PJWWRFATQTVXHA-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)CCCNC1CCCCC1
EC Number:
214-492-1
UNII:
4W981O1LXP
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.109g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.315g/mol
Monoisotopic Mass:
221.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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