5-aminopentanoic acid hydrochloride

• ChemBase ID: 119932
• Molecular Formular: C5H12ClNO2
• Molecular Mass: 153.60728
• Monoisotopic Mass: 153.05565631
• SMILES: C(=O)(O)CCCCN.Cl
• Canonical SMILES: NCCCCC(=O)O.Cl
• InChI: InChI=1S/C5H11NO2.ClH/c6-4-2-1-3-5(7)8;/h1-4,6H2,(H,7,8);1H
• InChIKey: BLOIUFYKQCCAGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-aminopentanoic acid hydrochloride
• IUPAC Traditional name: 5-aminovaleric acid hydrochloride
• Synonyms: 5-aminopentanoic acid hydrochloride; 5-Aminopentanoic acid; 5-Aminovaleric acid hydrochloride; 5-Aminopentanoic acid hydrochloride; 5-氨基正戊酸; 5-氨基戊酸 盐酸盐; 5-氨基戊酸盐酸盐

Database IDs

• CAS Number: 627-95-2
• EC Number: 211-021-1
• MDL Number: MFCD00012919
• Beilstein Number: 3683907
• PubChem SID: 162108034; 24278140
• PubChem CID: 69398

CALCULATED PROPERTIES

• Acid pKa: 4.6510544
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4868147
• LogD (pH = 7.4): -2.4408798
• Log P: -2.441462
• Molar Refractivity: 30.0588 cm^3
• Polarizability: 12.004493 Å^3
• Polar Surface Area: 63.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90-96°C; 95-97 °C(lit.)

Safety Information

• Storage Warning: Hygroscopic
• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 98%; 99%
• Salt Data: HCl
• Linear Formula: H2N(CH2)4CO2H · HCl

DETAILS

Sigma Aldrich - 194336

Packaging
5, 25 g in glass bottle