methyl[6-(methylamino)hexyl]amine

• ChemBase ID: 109014
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: CNCCCCCCNC
• Canonical SMILES: CNCCCCCCNC
• InChI: InChI=1S/C8H20N2/c1-9-7-5-3-4-6-8-10-2/h9-10H,3-8H2,1-2H3
• InChIKey: MDKQJOKKKZNQDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[6-(methylamino)hexyl]amine
• IUPAC Traditional name: methyl[6-(methylamino)hexyl]amine
• Synonyms: N,N'-DIMETHYLHEXAMETHYLENEDIAMINE; 1,6-Bis(methylamino)hexane; N,N′-Dimethyl-1,6-diaminohexane; N,N′-Dimethyl-1,6-hexanediamine; 1,6-双(甲氨基)己烷; N,N′-二甲基-1,6-二氨基己烷; N,N′-二甲基-1,6-己二胺

Database IDs

• CAS Number: 13093-04-4
• EC Number: 236-005-1
• MDL Number: MFCD00008293
• Beilstein Number: 1735385
• PubChem SID: 24893494; 162094726
• PubChem CID: 83131

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.5612946
• LogD (pH = 7.4): -4.870542
• Log P: 0.90917784
• Molar Refractivity: 46.1298 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15-18 °C(lit.)
• Boiling Point: 96 °C/14 mmHg(lit.)
• Flash Point: 186.8 °F; 86 °C
• Density: 0.807 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.447(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 98%
• Linear Formula: CH3NH(CH2)6NHCH3

DETAILS

MP Biomedicals - 05209534

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D161101

Packaging
1, 10 g in glass bottle