4-methylpentan-2-amine

• ChemBase ID: 146030
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: CC(C)CC(C)N
• Canonical SMILES: CC(CC(N)C)C
• InChI: InChI=1S/C6H15N/c1-5(2)4-6(3)7/h5-6H,4,7H2,1-3H3
• InChIKey: UNBMPKNTYKDYCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methylpentan-2-amine
• IUPAC Traditional name: 2-pentanamine, 4-methyl-
• Synonyms: 1,3-Dimethylbutylamine; 1,3-二甲基丁胺

Database IDs

• CAS Number: 108-09-8
• EC Number: 203-549-6
• MDL Number: MFCD00008088
• PubChem SID: 24847726; 162240230
• PubChem CID: 7908

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6255312
• LogD (pH = 7.4): -1.3255228
• Log P: 1.4020343
• Molar Refractivity: 32.7598 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 108-110 °C(lit.)
• Flash Point: 13 °C; 55.4 °F
• Density: 0.717 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4085(lit.)

Safety Information

• RTECS: EO4460000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2379
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-22-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314
• GHS Precautionary statements: P210-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 2379 3/PG 2

Product Information

• Purity: 98%
• Linear Formula: (CH3)2CHCH2CH(CH3)NH2

DETAILS

Sigma Aldrich - 126411

Packaging
5 g in glass bottle