(2S)-1-amino-3-(morpholin-4-yl)propan-2-ol

• ChemBase ID: 65937
• Molecular Formular: C7H16N2O2
• Molecular Mass: 160.21414
• Monoisotopic Mass: 160.12117776
• SMILES: [C@@H](CN1CCOCC1)(CN)O
• Canonical SMILES: NC[C@@H](CN1CCOCC1)O
• InChI: InChI=1S/C7H16N2O2/c8-5-7(10)6-9-1-3-11-4-2-9/h7,10H,1-6,8H2/t7-/m0/s1
• InChIKey: YSGPOQDTHDLUGE-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-amino-3-(morpholin-4-yl)propan-2-ol
• IUPAC Traditional name: (2S)-1-amino-3-(morpholin-4-yl)propan-2-ol
• Synonyms: (S)-1-Amino-3-morpholinopropan-2-ol

Database IDs

• CAS Number: 452105-36-1
• MDL Number: MFCD08059563
• PubChem SID: 162031676
• PubChem CID: 1380975

CALCULATED PROPERTIES

• Acid pKa: 14.532986
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.286327
• LogD (pH = 7.4): -3.590774
• Log P: -1.4556497
• Molar Refractivity: 42.9749 cm^3
• Polarizability: 17.269913 Å^3
• Polar Surface Area: 58.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%