Basic information
- CAS
5779-54-4- Standard SMILES
O=C(Nc1ccccc1)OCC1(COC(=O)Nc2ccccc2)CCCC1- InChIKey
IRZVVDMCEZNNCW-UHFFFAOYSA-N- Molecular formula
- C21H24N2O4
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.17360725
Overview
Cyclarbamate is a carbamate ester.
Names & identifiers
- Preferred name
- 1,1-Cyclopentanedimethanol, 1,1-bis(phenylcarbamate)
- IUPAC
- [1-(phenylcarbamoyloxymethyl)cyclopentyl]methyl N-phenylcarbamate
- English name
- cyclarbamate
- Molecular formula
- C21H24N2O4
- Molecular weight
- 368.431
Names & synonyms
Cyclarbamate5779-54-4CiclarbamatoCyclarbamatumCYCLOPENTAPHENE1,1-Cyclopentanedimethanol dicarbanilateC-1428Cyclarbamate [INN:BAN:DCF]DTXSID60206480779291866JCyclarbamate (INN:BAN:DCF)RefChem:906579
Show more names
1,1-Cyclopentanedimethanol bis(N-phenylcarbamate)Dicarbanilsaeureester des 1.1-Bis-hydroxymethyl-cyclopentans
DTXCID601289711,1-Cyclopentanedimethanol, 1,1-bis(phenylcarbamate)227-302-7[1-(phenylcarbamoyloxymethyl)cyclopentyl]methyl N-phenylcarbamateCalmalone; Camalon; Casmalon; CyclopentapheneCyclarbamatum [INN-Latin]Ciclarbamato [INN-Spanish]Cyclarbamat
Database identifiers
- CAS
5779-54-4- PubChem CID
- 72076
- DTXSID
DTXSID60206480- ChEMBL
CHEMBL2104142- ChEBI
CHEBI:135553- UNII
- 779291866J
- EC Number
- 227-302-7
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Melting point
- 151 · 151-152°
- Boiling point
- 454.7 · 454.7±18.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
- pka
- 13.47 · 13.47±0.70(Predicted)
- FDA UNII
- 779291866 J · 779291866J
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Cyclarbamate is a carbamate ester.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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