butan-2-amine

• ChemBase ID: 89655
• Molecular Formular: C4H11N
• Molecular Mass: 73.13684
• Monoisotopic Mass: 73.08914936
• SMILES: NC(CC)C
• Canonical SMILES: CCC(N)C
• InChI: InChI=1S/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
• InChIKey: BHRZNVHARXXAHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butan-2-amine
• IUPAC Traditional name: sec-butylamine
• Synonyms: (±)-sec-Butylamine; sec-Butylamine; butan-2-amine; (±)-2-Aminobutane; (±)-sec-Butylamine; 2-Aminobutane; 2-Butanamine; (+-)-sec-Butylamine; DL-sec-Butylamine; 1-Methylpropylamine; Mono-sec-butylamine; (+/-)-2-Butylamine; sec-Butylamine; (±)-2-Aminobutane; (+)-(-)-sec-Butylamine; 2-Aminobutane; sec-BUTYLAMINE; (±)-仲丁胺; 仲丁胺; (±)-2-氨基丁烷; (±)-仲丁胺; (+/-)-2-氨基丁烷

Database IDs

• CAS Number: 13952-84-6
• EC Number: 237-732-7
• MDL Number: MFCD00008094
• Beilstein Number: 1361345, 1718761 R, 1718760 S; 1361345
• Merck Index: 141544
• PubChem SID: 24892105; 24851667; 162076518
• PubChem CID: 24874
• Chemspider ID: 23255
• FEMA ID: 4240
• KEGG ID: C18706
• Unique Ingredient Identifier: QAZ452YGSG
• Wikipedia Title: Sec-Butylamine
• Flavis Number: 11.005

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

• Solubility: miscible in water
• Apperance: Colorless liquid
• Melting Point: -104°C; -104.50°C (168.65K); -104°C; -72 °C(lit.); -72°C
• Boiling Point: 62.85°C (336K); 63 °C(lit.); 63°C; 63-64°C
• Flash Point: -19 °C; -19°C(-2°F); -2.2 °F
• Density: 0.72 g/ml; 0.722; 0.724 g/mL at 25 °C(lit.); 724 mg mL^-1
• Refractive Index: 1.3928; 1.3930; n20/D 1.3928(lit.); n20/D 1.394
• Viscosity: 500 μPa s (at 20 °C)
• Odor: fishy, ammoniacal
• Std enthalpy of combustion: -3.0095–-3.0077 MJ mol^-1
• Std enthalpy of formation: -138.5–-136.5 kJ mol^-1

Safety Information

• Storage Warning: Air Sensitive
• RTECS: EO3325000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N); X
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/22-35-50; R:11-20/22-35-50; R11, R20/22, R35, R50
• Safety Statements: 9-16-26-28-36/37/39-45-61; S:9-16-26-28-45-36/37/39; S16, S26, S36/37/39, S45
• TSCA Listed: 是
• EU Index: 612-052-00-7
• GHS Pictograms: GHS corrosion; GHS environment; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07; GHS09
• GHS Signal Word: DANGER; Danger
• NFPA704:
  

  3

  3

  0
• LD50: 152 mg kg^-1 (oral, rat); 2.5 g kg^-1 (dermal, rabbit)
• GHS Hazard statements: 225, 302, 314, 332, 400; H225-H302-H314-H332-H400; H225-H314-H318-H400-H302-H332
• GHS Precautionary statements: 210, 273, 280, 305+351+338, 310; 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: ≥98.0% (GC); ≥98.5%; 98%; 99%
• Grade: purum
• Linear Formula: CH3CH2CH(NH2)CH3

DETAILS

MP Biomedicals - 05207525

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B89000

Packaging
100, 500 mL in glass bottle