(2S)-2-amino-3-hydroxypropanamide hydrochloride

• ChemBase ID: 104615
• Molecular Formular: C3H9ClN2O2
• Molecular Mass: 140.56876
• Monoisotopic Mass: 140.03525522
• SMILES: Cl.N[C@@H](CO)C(=O)N
• Canonical SMILES: N[C@H](C(=O)N)CO.Cl
• InChI: InChI=1S/C3H8N2O2.ClH/c4-2(1-6)3(5)7;/h2,6H,1,4H2,(H2,5,7);1H/t2-;/m0./s1
• InChIKey: VURWDDZIWBGXCK-DKWTVANSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-3-hydroxypropanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-3-hydroxypropanamide hydrochloride
• Synonyms: L-Serinamide hydrochloride; L-SERINAMIDE; L-丝氨酰胺 盐酸盐

Database IDs

• CAS Number: 65414-74-6
• EC Number: 265-753-1
• MDL Number: MFCD00067560
• PubChem SID: 24863404; 162092789
• PubChem CID: 16212403

CALCULATED PROPERTIES

• Acid pKa: 14.8808365
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.7078586
• LogD (pH = 7.4): -3.0179892
• Log P: -2.4325638
• Molar Refractivity: 23.8632 cm^3
• Polarizability: 9.6928005 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 185-188 °C(lit.)
• Optical Rotation: [α]20/D +14°, c = 1 in H2O

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Linear Formula: HOCH2CH(NH2)CONH2·HCl

DETAILS

MP Biomedicals - 02156610

Hydrochloride
Crystalline

Sigma Aldrich - 375799

Packaging
1 g in glass bottle