tert-butyl N-(2-aminoethyl)-N-(2-methoxyethyl)carbamate

• ChemBase ID: 244654
• Molecular Formular: C10H22N2O3
• Molecular Mass: 218.29328
• Monoisotopic Mass: 218.16304257
• SMILES: C(=O)(OC(C)(C)C)N(CCN)CCOC
• Canonical SMILES: COCCN(C(=O)OC(C)(C)C)CCN
• InChI: InChI=1S/C10H22N2O3/c1-10(2,3)15-9(13)12(6-5-11)7-8-14-4/h5-8,11H2,1-4H3
• InChIKey: PYMFLTAVZIIVNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(2-aminoethyl)-N-(2-methoxyethyl)carbamate
• IUPAC Traditional name: tert-butyl N-(2-aminoethyl)-N-(2-methoxyethyl)carbamate
• Synonyms: tert-butyl N-(2-aminoethyl)-N-(2-methoxyethyl)carbamate

Database IDs

• MDL Number: MFCD23144009
• PubChem SID: 164300564
• PubChem CID: 71757560

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6933963
• LogD (pH = 7.4): -1.4917567
• Log P: 0.24635527
• Molar Refractivity: 58.6818 cm^3
• Polarizability: 23.290115 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.463

Product Information

• Purity: 95%