2-aminopropanoic acid

• ChemBase ID: 102164
• Molecular Formular: C3H7NO2
• Molecular Mass: 89.09318
• Monoisotopic Mass: 89.04767847
• SMILES: CC(N)C(=O)O
• Canonical SMILES: CC(C(=O)O)N
• InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
• InChIKey: QNAYBMKLOCPYGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopropanoic acid
• IUPAC Traditional name: alanine
• Synonyms: (±)-2-Aminopropionic acid; D-Alanine; 2-Aminopropionic Acid; DL-α-ALANINE; DL-Alanine; H-DL-Ala-OH; DL-2-Aminopropionic acid; DL-Alanine; (±)-2-氨基丙酸; DL-丙氨酸

Database IDs

• CAS Number: 302-72-7; 338-69-2
• EC Number: 206-126-4
• MDL Number: MFCD00064408; MFCD00008077
• Beilstein Number: 1720250; 635807
• Merck Index: 14204
• PubChem SID: 24901892; 162089931; 24845822; 24891244
• PubChem CID: 602
• FEMA ID: 3818
• Flavis Number: 17.024

CALCULATED PROPERTIES

• Acid pKa: 2.4748974
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.840927
• LogD (pH = 7.4): -2.843974
• Log P: -2.840788
• Molar Refractivity: 20.4973 cm^3
• Polarizability: 8.358352 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 264-296°C; 289 °C (dec.)(lit.); 295-300 °C (dec.); ca 292°C dec.
• Density: 1.42; 1.42 g/ml

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: AY2980000
• German water hazard class: 1
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Regulation Compliance: FCC; FDA 21 CFR (172.54)

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99%; ≥99% (TLC); ≥99.0% (NT); 98%; 99%
• Grade: Halal; Kosher; puriss.
• Ignition Residue: ≤0.05%
• Loss on Drying: ≤0.2% loss on drying
• Linear Formula: CH3CH(NH2)COOH

DETAILS

MP Biomedicals - 05210408

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02100423

Crystalline

Sigma Aldrich - A7502

包装
1 kg in poly bottle
5 kg in poly drum

Sigma Aldrich - W502618

Features and Benefits
Odorless, sweet taste

Sigma Aldrich - W381810

Packaging
1 kg in poly bottle
1 sample in glass bottle
5, 10 kg in fiber drum