butyl(methyl)amine

• ChemBase ID: 110518
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: CCCCNC
• Canonical SMILES: CCCCNC
• InChI: InChI=1S/C5H13N/c1-3-4-5-6-2/h6H,3-5H2,1-2H3
• InChIKey: QCOGKXLOEWLIDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(methyl)amine
• IUPAC Traditional name: methylbutylamine
• Synonyms: N-Methylbutylamine; N-Butylmethylamine; N-METHYL-n-BUTYLAMINE; N-n-Butylmethylamine; N-Methyl-1-butylamine; N-甲基丁胺; N-丁基甲胺; N-1-丁基胺

Database IDs

• CAS Number: 110-68-9
• EC Number: 203-791-2
• MDL Number: MFCD00009426
• Beilstein Number: 1209231
• PubChem SID: 24849970; 162095816
• PubChem CID: 8068

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.104222
• LogD (pH = 7.4): -1.7590699
• Log P: 1.1310205
• Molar Refractivity: 28.567 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -75°C
• Boiling Point: 90.5-91.5 °C(lit.); 90-92°C
• Flash Point: -1 °C; 2°C(36°F); 30.2 °F
• Density: 0.736 g/mL at 25 °C(lit.); 0.740
• Refractive Index: 1.3995; n20/D 1.3995(lit.); n20/D 1.401

Safety Information

• RTECS: EO5250000
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 2945; UN2945
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-34; 11-21/22-34; R:11-22-27-34
• Safety Statements: 16-26-36/37/39-45; 7-20-26-33-36/37/39-45-60; S:16-27/28-29-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H311-H314-H332; H225-H311-H302-H314-H318
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310; P210-P303+P361+P353-P305+P351+P338-P361-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2945 3/PG 2

Product Information

• Purity: ≥98.0% (GC); 96%; 98%
• Grade: purum
• Linear Formula: CH3NH(CH2)3CH3

DETAILS

MP Biomedicals - 05215367

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 162124

Packaging
100 mL in glass bottle