(2S)-3,3-dimethylbutan-2-amine

• ChemBase ID: 140678
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: C[C@@H](C(C)(C)C)N
• Canonical SMILES: C[C@@H](C(C)(C)C)N
• InChI: InChI=1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1
• InChIKey: DXSUORGKJZADET-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-3,3-dimethylbutan-2-amine
• IUPAC Traditional name: (2S)-3,3-dimethylbutan-2-amine
• Synonyms: (S)-2-Amino-3,3-dimethylbutane; (S)-(+)-3,3-Dimethyl-2-butylamine, ChiPros; (S)-3,3-Dimethyl-2-aminobutane; (S)-(+)-3,3-Dimethyl-2-butylamine; (S)-(+)-3,3-二甲基-2-丁胺, ChiPros; (S)-3,3-二甲基-2-氨基丁烷; (S)-(+)-3,3-二甲基-2-丁胺

Database IDs

• CAS Number: 22526-47-2
• EC Number: 000-000-0
• MDL Number: MFCD00671644
• Beilstein Number: 4652328
• PubChem SID: 24884988; 162234919
• PubChem CID: 7004913

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6097478
• LogD (pH = 7.4): -1.1667402
• Log P: 1.4134202
• Molar Refractivity: 32.4799 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -4 °C; -4°C
• Boiling Point: 103 °C; 103°C
• Flash Point: 2 °C; 2°C(35°F); 35.6 °F
• Density: 0.743 g/mL at 25 °C; 0.755
• Refractive Index: 1.4126; n20/D 1.413

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733; UN2733
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-22-34-52/53; 11-34
• Safety Statements: 16-26-36/37/39-45-61; 26-36/37/39-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H412; H225-H314-H318
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P273-P280-P305 + P351 + P338-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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.5% (GC); 97%; 99%; 99+%, ee 99+%
• Grade: produced by BASF
• Optical Purity: enantiomeric excess: ≥98.5%
• Linear Formula: ((CH3)3C)CH(NH2)CH3

DETAILS

Sigma Aldrich - 668516

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 726559

Packaging
25, 100 g in glass bottle
Legal Information
ChiPros is a registered trademark of BASF SE