heptyl(methyl)amine

• ChemBase ID: 152372
• Molecular Formular: C8H19N
• Molecular Mass: 129.24316
• Monoisotopic Mass: 129.15174961
• SMILES: CCCCCCCNC
• Canonical SMILES: CCCCCCCNC
• InChI: InChI=1S/C8H19N/c1-3-4-5-6-7-8-9-2/h9H,3-8H2,1-2H3
• InChIKey: LTGYRKOQQQWWAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptyl(methyl)amine
• IUPAC Traditional name: heptyl(methyl)amine
• Synonyms: N-Methylheptylamine; N-Heptylmethylamine; N-甲基庚胺; N-庚基甲胺

Database IDs

• CAS Number: 36343-05-2
• EC Number: 252-987-4
• MDL Number: MFCD00039980
• Beilstein Number: 906719
• PubChem SID: 24873935; 162246517
• PubChem CID: 93190

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7705097
• LogD (pH = 7.4): -0.42513394
• Log P: 2.4647264
• Molar Refractivity: 42.37 cm^3
• Polarizability: 17.036163 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 53-54 °C/6 mmHg(lit.)
• Flash Point: 125.6 °F; 52 °C
• Density: 0.768 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.423

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2734
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• 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 2734 8/PG 2

Product Information

• Purity: ≥96.0% (GC)
• Linear Formula: CH3(CH2)5CH2NHCH3

DETAILS

Sigma Aldrich - 51995

Packaging
10 mL in glass bottle