tert-butyl N-(morpholin-2-ylmethyl)carbamate

• ChemBase ID: 33097
• Molecular Formular: C10H20N2O3
• Molecular Mass: 216.2774
• Monoisotopic Mass: 216.14739251
• SMILES: C(=O)(NCC1OCCNC1)OC(C)(C)C
• Canonical SMILES: O=C(OC(C)(C)C)NCC1OCCNC1
• InChI: InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-8-6-11-4-5-14-8/h8,11H,4-7H2,1-3H3,(H,12,13)
• InChIKey: IYHJNCQAADULQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(morpholin-2-ylmethyl)carbamate
• IUPAC Traditional name: tert-butyl N-(morpholin-2-ylmethyl)carbamate
• Synonyms: tert-Butyl morpholin-2-ylmethylcarbamate; tert-butyl (morpholin-2-ylmethyl)carbamate

Database IDs

• CAS Number: 173341-02-1
• MDL Number: MFCD06808588
• PubChem SID: 160996404
• PubChem CID: 19081107

CALCULATED PROPERTIES

• Acid pKa: 14.710619
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.3578286
• LogD (pH = 7.4): -0.64863986
• Log P: 0.34350172
• Molar Refractivity: 56.2609 cm^3
• Polarizability: 22.572815 Å^3
• Polar Surface Area: 59.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%