CABS

CAT: 0127-OR1102399-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1102399-01Size:5 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

161308-34-5

Purity

98%

Smiles

N (C1CCCCC1) CCCCS (O) (=O) =O

Chemical Information

4-(Cyclohexylamino)butane-1-sulfonic acid

CAS Number	161308-34-5
PubChem CID	11207078
IUPAC Name	4-(cyclohexylamino)butane-1-sulfonic acid
Molecular Formula	C10H21NO3S
Molecular Weight	235.35
XLogP	-1.1
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	252

SMILES

C1CCC(CC1)NCCCCS(=O)(=O)O

InChI

InChI=1S/C10H21NO3S/c12-15(13,14)9-5-4-8-11-10-6-2-1-3-7-10/h10-11H,1-9H2,(H,12,13,14)

InChIKey

XNPKNHHFCKSMRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161308-34-5

CID: 11207078

Formula: C10H21NO3S

MW: 235.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.35
XLogP3	-1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	235.12421471
Monoisotopic Mass	235.12421471
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	252
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
GK4749-25g	CABS