3-methylbutan-1-amine

• ChemBase ID: 76267
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: NCCC(C)C
• Canonical SMILES: NCCC(C)C
• InChI: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
• InChIKey: BMFVGAAISNGQNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methylbutan-1-amine
• IUPAC Traditional name: isoamylamine
• Synonyms: Isopentylamine; ISOAMYLAMINE, REAGENT GRADE; 3-Methylbutylamine; Isoamylamine; 1-Amino-3-methylbutane; Isopentylamine; 1-氨基-3-甲基丁烷; 异戊胺; 异戊胺; 异戊酰胺

Database IDs

• CAS Number: 107-85-7
• EC Number: 203-526-0
• MDL Number: MFCD00008203
• Beilstein Number: 1209230
• Merck Index: 145112
• PubChem SID: 24881308; 24847744; 162041174; 24901560
• PubChem CID: 7894
• FEMA ID: 3219
• Council of Europe Number: 512
• Flavis Number: 11.001

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0383701
• LogD (pH = 7.4): -1.6139905
• Log P: 0.98545927
• Molar Refractivity: 28.341 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -60°C; -60°C
• Boiling Point: 95°C; 95-97 °C(lit.); 95-97°C; 95-97°C
• Flash Point: -1 °C; -1°C; -1°C(30°F); 30.2 °F
• Density: 0.749 g/ml; 0.751; 0.751 g/mL at 25 °C(lit.)
• Refractive Index: 1.4080; n20/D 1.408; n20/D 1.408(lit.)
• Organoleptic: vanilla

Safety Information

• Storage Warning: Air Sensitive; Highly Flammable/Corrosive/Harmful/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C); Flammable (F); X
• UN Number: 1106; UN1106
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-22-34; R:34
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H301-H314; H225-H301-H314-H318
• GHS Precautionary statements: P210-P280-P301 + P310-P305 + P351 + P338-P310; P210-P301+P310-P303+P361+P353-P305+P351+P338-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 1106 3/PG 2

Pharmacology Properties

• Allergens: no known allergens, no known allergens

Product Information

• Purity: ≥98%; ≥98.0% (GC); 99%
• Grade: Halal; NI; purum; REAGENT
• Linear Formula: (CH3)2CHCH2CH2NH2

DETAILS

MP Biomedicals - 05211835

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 126810

Packaging
10, 100 g in glass bottle

Sigma Aldrich - W321907

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
4 kg in steel drum