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CAT: 0862-GB0318-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GB0318-25gSize:25 g
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CAS Number
1135-40-6
EC Number
214-492-1
MDL Number
MFCD00003837
HS Code
29213099
Purity
99.00%
Molecular Formula
C9H19NO3S
Molecular Weight
221.32
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

3-(Cyclohexylamino)-1-propanesulfonic acid

Cyclohexylaminopropanesulfonic acid is an amine.

CAS Number1135-40-6
PubChem CID70815
IUPAC Name3-(cyclohexylamino)propane-1-sulfonic acid
Molecular FormulaC9H19NO3S
Molecular Weight221.32
XLogP-1.4
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count14
Formal Charge0
Complexity239
SMILES
C1CCC(CC1)NCCCS(=O)(=O)O
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)
InChIKey
PJWWRFATQTVXHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Cyclohexylamino)-1-propanesulfonic acid
CAS: 1135-40-6
CID: 70815
Formula: C9H19NO3S
MW: 221.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.32
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass221.10856464
Monoisotopic Mass221.10856464
Topological Polar Surface Area74.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity239
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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