N,2,4,6-tetramethylaniline

• ChemBase ID: 139651
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: Cc1cc(c(c(c1)C)NC)C
• Canonical SMILES: CNc1c(C)cc(cc1C)C
• InChI: InChI=1S/C10H15N/c1-7-5-8(2)10(11-4)9(3)6-7/h5-6,11H,1-4H3
• InChIKey: HKABSXHXKCTVGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2,4,6-tetramethylaniline
• IUPAC Traditional name: N,2,4,6-tetramethylaniline
• Synonyms: 2,4,6-Trimethyl-N-methylaniline; 2,4,6-三甲基-N-甲基苯胺

Database IDs

• CAS Number: 13021-14-2
• MDL Number: MFCD06200698
• PubChem SID: 162233899; 24882378
• PubChem CID: 139364

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8675735
• LogD (pH = 7.4): 2.9845712
• Log P: 2.986288
• Molar Refractivity: 51.3754 cm^3
• Polarizability: 18.640118 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 229 °C(lit.)
• Flash Point: 188.6 °F; 87 °C
• Density: 0.935 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.5320(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/38-50/53
• Safety Statements: 26-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H400
• GHS Precautionary statements: P273-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3082 9/PG 3

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C10H15N

DETAILS

Sigma Aldrich - 631043

Packaging
1, 5 g in glass bottle