1,3,5-trimethyl-1,3,5-triazinane

• ChemBase ID: 111472
• Molecular Formular: C6H15N3
• Molecular Mass: 129.2034
• Monoisotopic Mass: 129.1265975
• SMILES: CN1CN(C)CN(C)C1
• Canonical SMILES: CN1CN(C)CN(C1)C
• InChI: InChI=1S/C6H15N3/c1-7-4-8(2)6-9(3)5-7/h4-6H2,1-3H3
• InChIKey: DPMZXMBOYHBELT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-trimethyl-1,3,5-triazinane
• IUPAC Traditional name: 1,3,5-trimethyl-1,3,5-triazinane
• Synonyms: Hexahydro-1,3,5-trimethyl-1,3,5-triazine; 1,3,5-Trimethylhexahydro-1,3,5-triazine; TRIMETHYLCYCLOTRIMETHYLENETRIAMINE; 1,3,5-trimethyl-1,3,5-triazinane; 六氢-1,3,5-三甲基-1,3,5-三嗪; 1,3,5-三甲基六氢-1,3,5-三嗪

Database IDs

• CAS Number: 108-74-7
• EC Number: 203-612-8
• MDL Number: MFCD00006057
• PubChem SID: 162103088; 24855400
• PubChem CID: 7952

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.22387214
• LogD (pH = 7.4): 0.38376516
• Log P: 0.3862364
• Molar Refractivity: 38.4858 cm^3
• Polarizability: 15.640824 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -27 °C(lit.)
• Boiling Point: 162-163.5 °C(lit.)
• Flash Point: 120.2 °F; 49 °C
• Density: 0.919 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4621(lit.)

Safety Information

• RTECS: XY9300000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95+%; 97%
• Empirical Formula (Hill Notation): C6H15N3

DETAILS

MP Biomedicals - 05219409

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 254673

Packaging
25, 100 g in glass bottle