[6-(dimethylamino)hexyl]dimethylamine

• ChemBase ID: 111358
• Molecular Formular: C10H24N2
• Molecular Mass: 172.31096
• Monoisotopic Mass: 172.19394878
• SMILES: CN(C)CCCCCCN(C)C
• Canonical SMILES: CN(CCCCCCN(C)C)C
• InChI: InChI=1S/C10H24N2/c1-11(2)9-7-5-6-8-10-12(3)4/h5-10H2,1-4H3
• InChIKey: TXXWBTOATXBWDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(dimethylamino)hexyl]dimethylamine
• IUPAC Traditional name: [6-(dimethylamino)hexyl]dimethylamine
• Synonyms: N,N,N',N'-TETRAMETHYL-1,6-HEXANEDIAMINE; N1,N1,N6,N6-Tetramethylhexane-1,6-diamine; N,N,N′,N′-Tetramethyl-1,6-hexanediamine; N,N,N′,N′-四甲基-1,6-己二胺

Database IDs

• CAS Number: 111-18-2
• EC Number: 203-842-9
• MDL Number: MFCD00008339
• PubChem SID: 24846690; 162097083
• PubChem CID: 8097

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -5.196705
• LogD (pH = 7.4): -3.04408
• Log P: 1.6752738
• Molar Refractivity: 56.7192 cm^3
• Polarizability: 22.246355 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 209-210 °C(lit.)
• Flash Point: 165.2 °F; 74 °C
• Density: 0.806 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4359(lit.)

Safety Information

• RTECS: MO1370000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• UN Number: 2927
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 22-24-34; R:22-27
• Safety Statements: 26-36/37/39-45; S:36/37/39
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H314
• GHS Precautionary statements: P280-P301 + P310-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 2927 6.1/PG 2

Product Information

• Purity: 95+%; 97%; 99%
• Linear Formula: (CH3)2N(CH2)6N(CH3)2

DETAILS

MP Biomedicals - 05218828

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 105139

Packaging
1 L in glass bottle
25, 100 mL in glass bottle