(2R)-3-methylbutan-2-amine

• ChemBase ID: 141882
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: C[C@H](C(C)C)N
• Canonical SMILES: C[C@H](C(C)C)N
• InChI: InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3/t5-/m1/s1
• InChIKey: JOZZAIIGWFLONA-RXMQYKEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-3-methylbutan-2-amine
• IUPAC Traditional name: (2R)-3-methylbutan-2-amine
• Synonyms: (R)-(-)-3-Methyl-2-butylamine; (R)-(-)-2-Amino-3-methylbutane; (2R)-3-methylbutan-2-amine; (R)-(-)-2-Amino-3-methylbutane; (R)-(-)-1,2-Dimethylpropylamine; (R)-(-)-3-甲基-2-丁胺; (R)-(-)-2-氨基-3-甲基丁烷

Database IDs

• CAS Number: 34701-33-2
• MDL Number: MFCD01075731
• Beilstein Number: 1718798
• PubChem SID: 24850996; 162236115
• PubChem CID: 6999786

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9927242
• LogD (pH = 7.4): -1.7157242
• Log P: 1.0354193
• Molar Refractivity: 28.0818 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85-87°C
• Flash Point: <21 °C; <21°C(69°F); <69.8 °F
• Density: 0.746; 0.75 g/mL at 20 °C(lit.)
• Refractive Index: 1.4060
• Optical Rotation: [α]/D -5.5±1°, neat; -5.2 (neat)
• Hydrophobicity(logP): 1.102

Safety Information

• Storage Warning: Air Sensitive
• RTECS: UI1100000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-34; 11-22-34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H331; H225-H311-H302-H332-H314-H318
• GHS Precautionary statements: P210-P261-P280-P305 + P351 + P338-P310; P210-P280-P305+P351+P338-P309-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: ≥97.0% (GC); ≥98.5% (GC); 95%; 99%; ChiPros 98%, ee 97%
• Grade: produced by BASF
• Optical Purity: enantiomeric excess: ≥98.5%
• Empirical Formula (Hill Notation): C5H13N

DETAILS

Sigma Aldrich - 18241

Packaging
1, 5 g in glass bottle

Sigma Aldrich - 726907

Packaging
5, 25 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE