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CAT: 0926-FH37148-01Size: 0.05 kgDry Ice: NoHazardous: No

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CAT#:0926-FH37148-01Size:0.05 kg

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CAS Number

161308-36-7

Synonyms

N- (2-Hydroxyethyl) piperazine-N'- (4-butanesulfonic acid)

MDL Number

MFCD22576931

Smiles

C1CN (CCN1CCCCS (=O) (=O) O) CCO

Molecular Formula

C10H22N2O4S

Molecular Weight

266.36 g/mol

Controlled

Chemical Information

Hepbs

CAS Number	161308-36-7
PubChem CID	9965191
IUPAC Name	4-[4-(2-hydroxyethyl)piperazin-1-yl]butane-1-sulfonic acid
Molecular Formula	C10H22N2O4S
Molecular Weight	266.36
XLogP	-3.3
Topological Polar Surface Area	89.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	17
Formal Charge	0
Complexity	294

SMILES

C1CN(CCN1CCCCS(=O)(=O)O)CCO

InChI

InChI=1S/C10H22N2O4S/c13-9-8-12-6-4-11(5-7-12)3-1-2-10-17(14,15)16/h13H,1-10H2,(H,14,15,16)

InChIKey

LOJNFONOHINEFI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161308-36-7

CID: 9965191

Formula: C10H22N2O4S

MW: 266.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	266.36
XLogP3	-3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	266.13002836
Monoisotopic Mass	266.13002836
Topological Polar Surface Area	89.5 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	294
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