2,5-diaminopentanoic acid hydrochloride

• ChemBase ID: 34646
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: C(=O)(C(N)CCCN)O.Cl
• Canonical SMILES: NC(C(=O)O)CCCN.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c6-3-1-2-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H
• InChIKey: GGTYBZJRPHEQDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-diaminopentanoic acid hydrochloride
• IUPAC Traditional name: Orn hydrochloride; ornithine L- monohydrochloride hydrochloride
• Synonyms: DL-2,5-Diaminopentanoic acid monohydrochloride; DL-ORNITHINE MONOHYDROCHLORIDE; 2,5-Diaminopentanoic acid hydrochloride; (±)-2,5-Diaminopentanoic acid monohydrochloride; DL-Ornithine monohydrochloride; (+/-)-2,5-Diaminopentanoic acid hydrochloride; H-DL-Orn-OH.HCl; DL-Ornithine hydrochloride; DL-ORNITHINE HCl; (±)-2,5-二氨基戊酸 单盐酸盐; DL-鸟氨酸 单盐酸盐; DL-鸟氨酸单盐酸盐

Database IDs

• CAS Number: 16682-12-5; 1069-31-4
• EC Number: 213-956-0
• MDL Number: MFCD00065398
• Beilstein Number: 4153338
• PubChem SID: 160997953; 24886833; 24897958
• PubChem CID: 71598

CALCULATED PROPERTIES

• Acid pKa: 2.6664226
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -6.399376
• LogD (pH = 7.4): -5.4160175
• Log P: -3.6582875
• Molar Refractivity: 33.2085 cm^3
• Polarizability: 13.533871 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ~233 °C (dec.); 230-240°C; ca 225°C dec.

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false; 是
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ~99%; ≥99.0% (AT); 98%; 99%
• Impurities: ammonia, essentially free
• Linear Formula: NH2(CH2)3CH(CO2H)(NH2) · HCl

DETAILS

MP Biomedicals - 05207953

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02102516

Hydrochloride
Crystalline
Purity: ~99%

Sigma Aldrich - 75490

Packaging
10, 50 g in glass bottle