tert-butyl (3R)-3-ethoxypyrrolidine-1-carboxylate

• ChemBase ID: 297709
• Molecular Formular: C11H21NO3
• Molecular Mass: 215.28934
• Monoisotopic Mass: 215.15214354
• SMILES: CCO[C@@H]1CCN(C1)C(=O)OC(C)(C)C
• Canonical SMILES: CCO[C@@H]1CCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H21NO3/c1-5-14-9-6-7-12(8-9)10(13)15-11(2,3)4/h9H,5-8H2,1-4H3/t9-/m1/s1
• InChIKey: SQETXAYIDTYNTR-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (3R)-3-ethoxypyrrolidine-1-carboxylate
• IUPAC Traditional name: tert-butyl (3R)-3-ethoxypyrrolidine-1-carboxylate
• Synonyms: tert-Butyl (R)-3-ethoxypyrrolidine-1-carboxylate; 1-Boc-(R)-3-ethoxypyrrolidine; 1-Boc-(R)-3-乙氧基吡咯烷

Database IDs

• CAS Number: 207746-96-1
• MDL Number: MFCD08064277
• PubChem SID: 180683240
• PubChem CID: 42553444

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3483489
• LogD (pH = 7.4): 1.3483489
• Log P: 1.3483489
• Molar Refractivity: 58.0472 cm^3
• Polarizability: 22.876492 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• 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: 95%