2-methoxy-2-methylpropan-1-amine; oxalic acid

• ChemBase ID: 37565
• Molecular Formular: C7H15NO5
• Molecular Mass: 193.1977
• Monoisotopic Mass: 193.09502259
• SMILES: CC(CN)(C)OC.C(=O)(C(=O)O)O
• Canonical SMILES: OC(=O)C(=O)O.NCC(OC)(C)C
• InChI: InChI=1S/C5H13NO.C2H2O4/c1-5(2,4-6)7-3;3-1(4)2(5)6/h4,6H2,1-3H3;(H,3,4)(H,5,6)
• InChIKey: WOQGGTNTCYLBLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-methylpropan-1-amine; oxalic acid
• IUPAC Traditional name: 2-methoxy-2-methylpropan-1-amine; oxalic acid
• Synonyms: (2-Methoxy-2-methylpropyl)amine oxalate

Database IDs

• MDL Number: MFCD09839057
• PubChem SID: 161000872
• PubChem CID: 46737007

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9685152
• LogD (pH = 7.4): -2.0745409
• Log P: 0.02471732
• Molar Refractivity: 30.0193 cm^3
• Polarizability: 12.157154 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false