2,5,8,11-tetramethyl-2,5,8,11-tetraazadodecane

• ChemBase ID: 112612
• Molecular Formular: C12H30N4
• Molecular Mass: 230.3934
• Monoisotopic Mass: 230.24704698
• SMILES: CN(C)CCN(C)CCN(C)CCN(C)C
• Canonical SMILES: CN(CCN(C)C)CCN(CCN(C)C)C
• InChI: InChI=1S/C12H30N4/c1-13(2)7-9-15(5)11-12-16(6)10-8-14(3)4/h7-12H2,1-6H3
• InChIKey: DWFKOMDBEKIATP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5,8,11-tetramethyl-2,5,8,11-tetraazadodecane
• IUPAC Traditional name: 2,5,8,11-tetramethyl-2,5,8,11-tetraazadodecane
• Synonyms: 1,1,4,7,10,10-HEXAMETHYLTRIETHYLENETETRAMINE; HMTETA; 1,1,4,7,10,10-Hexamethyltriethylenetetramine; 1,1,4,7,10,10-六甲基三亚乙基四胺

Database IDs

• CAS Number: 3083-10-1
• EC Number: 221-382-7
• MDL Number: MFCD00025684
• PubChem SID: 24862651; 162098220
• PubChem CID: 76509

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -6.667129
• LogD (pH = 7.4): -3.597352
• Log P: 0.24610303
• Molar Refractivity: 74.0454 cm^3
• Polarizability: 28.977026 Å^3
• Polar Surface Area: 12.96 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 130 °C/11 mmHg(lit.)
• Flash Point: 102 °C; 215.6 °F
• Density: 0.847 g/ml; 0.847 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.456(lit.)

Safety Information

• RTECS: KH8587135
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: [(CH3)2NCH2CH2N(CH3)CH2-]2

DETAILS

Sigma Aldrich - 366404

Packaging
5, 25 g in glass bottle