2,3-diaminopropanoic acid hydrochloride

• ChemBase ID: 89861
• Molecular Formular: C3H9ClN2O2
• Molecular Mass: 140.56876
• Monoisotopic Mass: 140.03525522
• SMILES: OC(=O)C(CN)N.Cl
• Canonical SMILES: NC(C(=O)O)CN.Cl
• InChI: InChI=1S/C3H8N2O2.ClH/c4-1-2(5)3(6)7;/h2H,1,4-5H2,(H,6,7);1H
• InChIKey: SKWCZPYWFRTSDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-diaminopropanoic acid hydrochloride
• IUPAC Traditional name: 2,3-diaminopropionic acid hydrochloride
• Synonyms: DL-2,3-Diaminopropionic acid monohydrochloride; 3-Amino-DL-alanine monohydrochloride; 2,3-Diaminopropanoic acid hydrochloride; DL-2,3-Diaminopropionic acid hydrochloride; DL-2,3-Diaminopropionic acid hydrochloride; 3-Amino-DL-alanine hydrochloride; DL-α,β-DIAMINOPROPIONIC ACID HYDROCHLORIDE; H-DL-Dap-OH.HCl; 3-氨基-DL-丙氨酸 单盐酸盐; DL-2,3-二胺基丙酸 单盐酸盐; 3-氨基-DL-丙氨酸 盐酸盐; DL-2,3-二胺基丙酸 盐酸盐; DL-2,3-二氨基丙酸.单盐酸盐

Database IDs

• CAS Number: 54897-59-5
• EC Number: 259-387-1
• MDL Number: MFCD00012884
• Beilstein Number: 5293359
• Merck Index: 142984
• PubChem SID: 24853139; 162076716; 24893457; 24860053
• PubChem CID: 108638

CALCULATED PROPERTIES

• Acid pKa: 2.1010375
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.112607
• LogD (pH = 7.4): -4.0595517
• Log P: -4.0216513
• Molar Refractivity: 23.6985 cm^3
• Polarizability: 9.885121 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 231-233 °C (dec.); 232 °C (dec.)(lit.); 232(dec.)°C; ca 232°C dec.

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.0% (AT); 98%; 99%
• Grade: puriss.
• Linear Formula: NH2CH2CH(NH2)COOH · HCl

DETAILS

MP Biomedicals - 02100448

Hydrochloride
Crystalline
Purity: 99%

Sigma Aldrich - 219630

Packaging
1, 5 g in glass bottle