(2S)-butan-2-amine

• ChemBase ID: 90388
• Molecular Formular: C4H11N
• Molecular Mass: 73.13684
• Monoisotopic Mass: 73.08914936
• SMILES: N[C@H](CC)C
• Canonical SMILES: CC[C@@H](N)C
• InChI: InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3/t4-/m0/s1
• InChIKey: BHRZNVHARXXAHW-BYPYZUCNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-butan-2-amine
• IUPAC Traditional name: (2S)-butan-2-amine
• Synonyms: S-(+)-sec-Butylamine; (2S)-(+)-2-Aminobutane; (S)-(+)-2-Aminobutane; (S)-(+)-sec-Butylamine; (R)-(-)-2-Butylamine; (R)-(-)-1-Methylpropylamine; (R)-(-)-2-Aminobutane; (S)-(+)-2-氨基丁烷; (S)-(+)-仲丁胺; (R)-(-)-2-丁胺

Database IDs

• CAS Number: 513-49-5; 13250-12-9
• EC Number: 208-164-7; 236-232-6
• MDL Number: MFCD00064417; MFCD00064416
• Beilstein Number: 1718760
• Merck Index: 141544
• PubChem SID: 24851665; 162077201; 24857864
• PubChem CID: 6713753

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.3573148
• LogD (pH = 7.4): -2.064966
• Log P: 0.6704465
• Molar Refractivity: 23.6102 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -105°C
• Boiling Point: 62.5 °C(lit.); 63°C; 63°C
• Flash Point: 15.8 °F; -19°C; -19°C(-2°F); -9 °C
• Density: 0.722; 0.731 g/mL at 25 °C(lit.)
• Refractive Index: 1.393; 1.3930; n20/D 1.393; n20/D 1.393(lit.)
• Optical Rotation: [α]19/D +7.5°, neat; [α]20/D +8.0±0.5°, neat; -7.5 (neat)

Safety Information

• Storage Warning: Air Sensitive; Highly Flammable/Corrosive/Harmful/Light Sensitive/Air Sensitive/Store under Argon
• RTECS: EO3327000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); X
• UN Number: 2733; UN2733
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/22-35-50
• Safety Statements: 9-16-26-28-36/37/39-45-61
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H332-H400; H225-H314-H318-H400-H302-H332
• 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)
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: ≥99.0% (sum of enantiomers, GC); 99%
• Grade: purum
• Optical Purity: enantiomeric ratio: ≥97.0:3.0 (GC)
• Linear Formula: C2H5CH(NH2)CH3

DETAILS

Sigma Aldrich - 296651

Packaging
1 g in ampule