(1R)-1-(ethylcarbamoyl)ethyl N-phenylcarbamate

• ChemBase ID: 158155
• Molecular Formular: C12H16N2O3
• Molecular Mass: 236.26704
• Monoisotopic Mass: 236.11609238
• SMILES: CCNC(=O)[C@@H](C)OC(=O)Nc1ccccc1
• Canonical SMILES: CCNC(=O)[C@H](OC(=O)Nc1ccccc1)C
• InChI: InChI=1S/C12H16N2O3/c1-3-13-11(15)9(2)17-12(16)14-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,13,15)(H,14,16)/t9-/m1/s1
• InChIKey: AMRQXHFXNZFDCH-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-(ethylcarbamoyl)ethyl N-phenylcarbamate
• IUPAC Traditional name: (1R)-1-(ethylcarbamoyl)ethyl N-phenylcarbamate
• Synonyms: (R)-(-)-1-(Ethylcarbamoyl)ethyl N-phenylcarbamate; Carbetamide; 卡草胺

Database IDs

• CAS Number: 16118-49-3
• EC Number: 240-286-6
• MDL Number: MFCD00135093
• Beilstein Number: 8318291
• PubChem SID: 24868841; 162252291
• PubChem CID: 152031

CALCULATED PROPERTIES

• Acid pKa: 13.003111
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6505363
• LogD (pH = 7.4): 1.6505352
• Log P: 1.6505363
• Molar Refractivity: 64.5906 cm^3
• Polarizability: 24.494553 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: FD8900000
• German water hazard class: 2
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C12H16N2O3

DETAILS

Sigma Aldrich - 45369

Legal Information
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