(2S)-morpholin-2-ylmethanol hydrochloride

• ChemBase ID: 69026
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: N1C[C@H](OCC1)CO.Cl
• Canonical SMILES: OC[C@@H]1CNCCO1.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c7-4-5-3-6-1-2-8-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
• InChIKey: NBGXGDBTUJNTKJ-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-morpholin-2-ylmethanol hydrochloride
• IUPAC Traditional name: (2S)-morpholin-2-ylmethanol hydrochloride
• Synonyms: (S)-(2-Hydroxymethyl)morpholine hydrochloride

Database IDs

• CAS Number: 1313584-92-7
• MDL Number: MFCD13191722
• PubChem SID: 162034755
• PubChem CID: 53483542

CALCULATED PROPERTIES

• Acid pKa: 14.636797
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.550191
• LogD (pH = 7.4): -1.815999
• Log P: -1.0417138
• Molar Refractivity: 29.7304 cm^3
• Polarizability: 12.073888 Å^3
• Polar Surface Area: 41.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%