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Cyclarbamate

CAT: 0013-GTR19194888-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19194888-02Size:50 mg
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Description
Cyclarbamate
CAS Number
5779-54-4
Field of Research
Pharmacology & Drug Discovery
Smiles
C (OC (NC1=CC=CC=C1) =O) C2 (COC (NC3=CC=CC=C3) =O) CCCC2
Molecular Formula
C21H24N2O4
Molecular Weight
368.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,1-Cyclopentanedimethanol, 1,1-bis(phenylcarbamate)

Cyclarbamate is a carbamate ester.

CAS Number5779-54-4
PubChem CID72076
IUPAC Name[1-(phenylcarbamoyloxymethyl)cyclopentyl]methyl N-phenylcarbamate
Molecular FormulaC21H24N2O4
Molecular Weight368.4
XLogP4.5
Topological Polar Surface Area76.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity441
SMILES
C1CCC(C1)(COC(=O)NC2=CC=CC=C2)COC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H24N2O4/c24-19(22-17-9-3-1-4-10-17)26-15-21(13-7-8-14-21)16-27-20(25)23-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,22,24)(H,23,25)
InChIKey
IRZVVDMCEZNNCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Cyclopentanedimethanol, 1,1-bis(phenylcarbamate)
CAS: 5779-54-4
CID: 72076
Formula: C21H24N2O4
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass368.17360725
Monoisotopic Mass368.17360725
Topological Polar Surface Area76.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity441
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

Alternative Products

CatalogName
MBS5780751Cyclarbamate

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