(2-methylbut-3-en-2-yl)(2-methylbutan-2-yl)amine

• ChemBase ID: 148508
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: CCC(C)(C)NC(C)(C)C=C
• Canonical SMILES: CCC(NC(C=C)(C)C)(C)C
• InChI: InChI=1S/C10H21N/c1-7-9(3,4)11-10(5,6)8-2/h7,11H,1,8H2,2-6H3
• InChIKey: BMDISKTZXDELHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methylbut-3-en-2-yl)(2-methylbutan-2-yl)amine
• IUPAC Traditional name: (2-methylbut-3-en-2-yl)(2-methylbutan-2-yl)amine
• Synonyms: N-tert-Amyl-1,1-dimethylallylamine; N-叔戊基-1,1-二甲基烯丙基胺

Database IDs

• CAS Number: 2978-45-2
• MDL Number: MFCD02093677
• PubChem SID: 24873782; 162242683
• PubChem CID: 3691229

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.418514
• LogD (pH = 7.4): 0.06543632
• Log P: 2.812005
• Molar Refractivity: 51.2427 cm^3
• Polarizability: 20.500462 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 168 °C(lit.)
• Flash Point: 104 °F; 40 °C
• Density: 0.793 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4395(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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 2733 3/PG 3

Product Information

• Purity: 97%
• Linear Formula: C2H5C(CH3)2NHC(CH3)2CH=CH2

DETAILS

Sigma Aldrich - 514926

Packaging
5 g in glass bottle