(2R)-2-amino-3-methylbutan-1-ol

• ChemBase ID: 69688
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C([C@@H](C(C)C)N)O
• Canonical SMILES: OC[C@@H](C(C)C)N
• InChI: InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m0/s1
• InChIKey: NWYYWIJOWOLJNR-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3-methylbutan-1-ol
• IUPAC Traditional name: (2R)-2-amino-3-methylbutan-1-ol
• Synonyms: (S)-(+)-2-Amino-3-methyl-1-butanol; H-Val-ol; L-(+)-Valinol; (R)-(-)-2-Amino-3-methyl-1-butanol; H-D-Val-ol; D-(-)-Valinol; (R)-(-)-2-Amino-3-methyl-1-butanol; (R)-(-)-2-Amino-3-methyl-1-butanol; D-Valinol; (R)-(-)-2-Amino-3-methylbutan-1-ol; D-2-Amino-3-methyl-1-butanol; D-VALINOL; (R)-2-Amino-3-methyl-1-butanol; D-Valinol; L-(+)-缬氨醇; D-(-)-缬氨醇; D-缬氨醇; (R)-(-)-2-氨基-3-甲基-1-丁醇; (R)-(-)-2-氨基-3-甲基-1-丁醇; D-缬氨醇

Database IDs

• CAS Number: 2026-48-4; 4276-09-9
• EC Number: 217-975-5
• MDL Number: MFCD00064297; MFCD00064296
• Beilstein Number: 1719137; 1719138
• PubChem SID: 24857159; 24890043; 162035414
• PubChem CID: 6950587

CALCULATED PROPERTIES

• Acid pKa: 15.1198635
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.0263493
• LogD (pH = 7.4): -2.4011502
• Log P: -0.011490631
• Molar Refractivity: 29.6255 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30-34 °C; 30-34°C; 30-35°C; 35-36 °C(lit.); 35-36°C
• Boiling Point: 189-190 °C(lit.); 189-190°C; 80-81°C/8mm
• Flash Point: 172.4 °F; 78 °C; 78°C(172°F)
• Density: 0.926; 0.931; 0.931 g/mL at 20 °C(lit.)
• Refractive Index: 1.4548; 1.4550; n20/D 1.455
• Optical Rotation: [α]20/D -10±1°, c = 10% in H2O; [α]20/D -16°, c = 10 in ethanol; +17 (c=10 in ethanol); -11 (c=10 in water)

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: Air Sensitive; IRRITANT; Irritant/Store under inert gas
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26-36/37; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥96.0% (sum of enantiomers, GC); 95+%; 97%; 98%
• Grade: purum
• Linear Formula: (CH3)2CHCH(NH2)CH2OH
• Empirical Formula (Hill Notation): C5H13NO

DETAILS

MP Biomedicals - 02158276

Crystalline

Sigma Aldrich - 284483

Packaging
1, 5 g in glass bottle

REFERENCES

• Chiral auxiliary and building block. See also (4S)-(-)-Isopropyl-2-oxazolidinone, A14029 for derived reagents.