2-methoxyethyl N-(3-aminophenyl)carbamate

• ChemBase ID: 263709
• Molecular Formular: C10H14N2O3
• Molecular Mass: 210.22976
• Monoisotopic Mass: 210.10044232
• SMILES: C(=O)(Nc1cc(N)ccc1)OCCOC
• Canonical SMILES: COCCOC(=O)Nc1cccc(c1)N
• InChI: InChI=1S/C10H14N2O3/c1-14-5-6-15-10(13)12-9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3,(H,12,13)
• InChIKey: ZBYDMKPFQILQOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxyethyl N-(3-aminophenyl)carbamate
• IUPAC Traditional name: 2-methoxyethyl N-(3-aminophenyl)carbamate
• Synonyms: 2-methoxyethyl N-(3-aminophenyl)carbamate

Database IDs

• MDL Number: MFCD11638281
• PubChem SID: 164319619
• PubChem CID: 43309290

CALCULATED PROPERTIES

• Acid pKa: 12.995291
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9465601
• LogD (pH = 7.4): 0.9542459
• Log P: 0.9543459
• Molar Refractivity: 58.2885 cm^3
• Polarizability: 21.444237 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.391

Product Information

• Purity: 95%