heptyldimethylamine

• ChemBase ID: 134448
• Molecular Formular: C9H21N
• Molecular Mass: 143.26974
• Monoisotopic Mass: 143.16739968
• SMILES: CCCCCCCN(C)C
• Canonical SMILES: CCCCCCCN(C)C
• InChI: InChI=1S/C9H21N/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3
• InChIKey: LSICDRUYCNGRIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptyldimethylamine
• IUPAC Traditional name: heptyldimethylamine
• Synonyms: 1-(Dimethylamino)heptane; N,N-Dimethylheptylamine; 1-(二甲氨基)庚烷; N,N-二甲基庚烷胺

Database IDs

• CAS Number: 5277-11-2
• EC Number: 226-100-6
• MDL Number: MFCD00053418
• Beilstein Number: 1697547
• PubChem SID: 24865243; 162228724
• PubChem CID: 16226

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.588215
• LogD (pH = 7.4): 0.48809677
• Log P: 2.8477745
• Molar Refractivity: 47.6647 cm^3
• Polarizability: 18.883202 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60 °C/10 mmHg(lit.)
• Flash Point: 123.8 °F; 51 °C
• Density: 0.757 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.421

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: ≥97.0%
• Linear Formula: CH3(CH2)6N(CH3)2