2-(methylamino)ethyl carbamate hydrochloride

• ChemBase ID: 244628
• Molecular Formular: C4H11ClN2O2
• Molecular Mass: 154.59534
• Monoisotopic Mass: 154.05090528
• SMILES: C(=O)(N)OCCNC.Cl
• Canonical SMILES: CNCCOC(=O)N.Cl
• InChI: InChI=1S/C4H10N2O2.ClH/c1-6-2-3-8-4(5)7;/h6H,2-3H2,1H3,(H2,5,7);1H
• InChIKey: VXCRIVYLHIXJDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)ethyl carbamate hydrochloride
• IUPAC Traditional name: 2-(methylamino)ethyl carbamate hydrochloride
• Synonyms: 2-(methylamino)ethyl carbamate hydrochloride

Database IDs

• MDL Number: MFCD22628557
• PubChem SID: 164300538
• PubChem CID: 71757551

CALCULATED PROPERTIES

• Acid pKa: 15.639347
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.9123392
• LogD (pH = 7.4): -2.6656234
• Log P: -0.7754006
• Molar Refractivity: 28.8139 cm^3
• Polarizability: 11.578708 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.946

Product Information

• Purity: 95%