methyl 2-amino-3-hydroxypropanoate hydrochloride

• ChemBase ID: 83984
• Molecular Formular: C4H10ClNO3
• Molecular Mass: 155.5801
• Monoisotopic Mass: 155.03492087
• SMILES: O=C(C(N)CO)OC.Cl
• Canonical SMILES: COC(=O)C(CO)N.Cl
• InChI: InChI=1S/C4H9NO3.ClH/c1-8-4(7)3(5)2-6;/h3,6H,2,5H2,1H3;1H
• InChIKey: NDBQJIBNNUJNHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-3-hydroxypropanoate hydrochloride
• IUPAC Traditional name: methyl 2-amino-3-hydroxypropanoate hydrochloride
• Synonyms: methyl 2-amino-3-hydroxypropanoate hydrochloride; DL-SERINE METHYL ESTER; DL-Serine methyl ester hydrochloride; H-DL-Ser-OMe.HCl; DL-丝氨酸甲酯 盐酸盐; DL-丝氨酸甲酯盐酸盐

Database IDs

• CAS Number: 5619-04-5
• EC Number: 227-047-1
• MDL Number: MFCD00012593
• Beilstein Number: 6067970
• PubChem SID: 162071100; 24899625; 24853368
• PubChem CID: 517373

CALCULATED PROPERTIES

• Acid pKa: 14.880805
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8088803
• LogD (pH = 7.4): -1.5804076
• Log P: -1.4797273
• Molar Refractivity: 26.8101 cm^3
• Polarizability: 11.100558 Å^3
• Polar Surface Area: 72.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134-136 °C(lit.); ca 134°C dec.

Safety Information

• Storage Condition: 0°C
• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 98%; 98+%
• Linear Formula: HOCH2CH(NH2)CO2CH3·HCl

DETAILS

MP Biomedicals - 02102871

Hydrochloride
Crystalline

Sigma Aldrich - 223131

Packaging
10, 100 g in glass bottle