Cyprodenate

CAT: 0127-BUP21259-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP21259-03Size:25 mg

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CAS Number

15585-86-1

Synonyms

Actebral

Smiles

O=C(OCCN(C)C)CCC1CCCCC1

Chemical Information

Cyprodenate

Cyprodenate is a fatty acid ester.

CAS Number	15585-86-1
PubChem CID	71875
IUPAC Name	2-(dimethylamino)ethyl 3-cyclohexylpropanoate
Molecular Formula	C13H25NO2
Molecular Weight	227.34
XLogP	3.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	198

SMILES

CN(C)CCOC(=O)CCC1CCCCC1

InChI

InChI=1S/C13H25NO2/c1-14(2)10-11-16-13(15)9-8-12-6-4-3-5-7-12/h12H,3-11H2,1-2H3

InChIKey

MPOYJPINNSIHAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15585-86-1

CID: 71875

Formula: C13H25NO2

MW: 227.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	227.34
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	227.188529040
Monoisotopic Mass	227.188529040
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	198
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
GTR19212493-01	Cyprodenate