(2S)-2-aminopentan-1-ol

• ChemBase ID: 150162
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: CCC[C@@H](CO)N
• Canonical SMILES: CCC[C@@H](CO)N
• InChI: InChI=1S/C5H13NO/c1-2-3-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1
• InChIKey: ULAXUFGARZZKTK-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-aminopentan-1-ol
• IUPAC Traditional name: (2S)-2-aminopentan-1-ol
• Synonyms: L-Norvalinol; (S)-(+)-2-Amino-1-pentanol; L-戊氨醇; (S)-(+)-2-氨基-1-戊醇

Database IDs

• CAS Number: 22724-81-8
• MDL Number: MFCD02683229
• PubChem SID: 24878048; 162244323
• PubChem CID: 6951248

CALCULATED PROPERTIES

• Acid pKa: 15.127831
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.943824
• LogD (pH = 7.4): -2.269793
• Log P: 0.068105206
• Molar Refractivity: 29.7549 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 44-48 °C(lit.)
• Flash Point: 101 °C; 213.8 °F
• Optical Rotation: [α]20/D +17°, c = 1 in chloroform

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)2CH(NH2)CH2OH

DETAILS

Sigma Aldrich - 534587

Packaging
1 g in glass bottle