2,6-dimethyl-4-tridecylmorpholine

• ChemBase ID: 158010
• Molecular Formular: C19H39NO
• Molecular Mass: 297.51906
• Monoisotopic Mass: 297.30316487
• SMILES: CCCCCCCCCCCCCN1CC(OC(C1)C)C
• Canonical SMILES: CCCCCCCCCCCCCN1CC(C)OC(C1)C
• InChI: InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3
• InChIKey: YTOPFCCWCSOHFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dimethyl-4-tridecylmorpholine
• IUPAC Traditional name: kalinin
• Synonyms: 2,6-Dimethyl-4-tridecylmorpholine; Tridemorph; 2,6-二甲基-4-十三烷基吗啉; 异十三吗啉

Database IDs

• CAS Number: 24602-86-6
• EC Number: 246-347-3
• MDL Number: MFCD00055522
• PubChem SID: 162252146
• PubChem CID: 32518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3618016
• LogD (pH = 7.4): 5.129476
• Log P: 6.129836
• Molar Refractivity: 93.1828 cm^3
• Polarizability: 37.2561 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• RTECS: QE2705000
• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 3082
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 61-20/22-38-50/53
• Safety Statements: 53-45-60-61
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H332-H360D-H410
• GHS Precautionary statements: P201-P273-P308 + P313-P501
• Personal Protective Equipment: Eyeshields, Faceshields, 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

• Grade: PESTANAL®, analytical standard
• Empirical Formula (Hill Notation): C19H39NO

DETAILS

Sigma Aldrich - 36199

Legal Information
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