bis(ethene) tert-butyl N-hydroxy-N-methylcarbamate

• ChemBase ID: 298123
• Molecular Formular: C10H21NO3
• Molecular Mass: 203.27864
• Monoisotopic Mass: 203.15214354
• SMILES: CC(C)(C)OC(=O)N(C)O.C=C.C=C
• Canonical SMILES: O=C(N(O)C)OC(C)(C)C.C=C.C=C
• InChI: InChI=1S/C6H13NO3.2C2H4/c1-6(2,3)10-5(8)7(4)9;2*1-2/h9H,1-4H3;2*1-2H2
• InChIKey: XCBARSUTRAVZCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(ethene) tert-butyl N-hydroxy-N-methylcarbamate
• IUPAC Traditional name: bis(ethylene) tert-butyl N-hydroxy-N-methylcarbamate
• Synonyms: tert-Butyl N-(2-hydroxyethyl)-N-n-propylcarbamate; N-Boc-N-n-propylethanolamine; N-Boc-N-n-丙基乙醇胺

Database IDs

• CAS Number: 152192-96-6
• MDL Number: MFCD06658367
• PubChem SID: 180683654
• PubChem CID: 73995351

CALCULATED PROPERTIES

• Acid pKa: 8.185723
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.862566
• LogD (pH = 7.4): 0.79788256
• Log P: 0.8634568
• Molar Refractivity: 36.5564 cm^3
• Polarizability: 14.375297 Å^3
• Polar Surface Area: 49.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 23-26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%