[bis(cyclohexyloxy)methyl]dimethylamine

• ChemBase ID: 138997
• Molecular Formular: C15H29NO2
• Molecular Mass: 255.39626
• Monoisotopic Mass: 255.21982917
• SMILES: CN(C)C(OC1CCCCC1)OC1CCCCC1
• Canonical SMILES: CN(C(OC1CCCCC1)OC1CCCCC1)C
• InChI: InChI=1S/C15H29NO2/c1-16(2)15(17-13-9-5-3-6-10-13)18-14-11-7-4-8-12-14/h13-15H,3-12H2,1-2H3
• InChIKey: GCCBITPXNLHRFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(cyclohexyloxy)methyl]dimethylamine
• IUPAC Traditional name: [bis(cyclohexyloxy)methyl]dimethylamine
• Synonyms: 1,1-Dicyclohexyloxytrimethylamine; N,N-Dimethylformamide dicyclohexyl acetal; 1,1-二环己氧基三甲胺; N,N-二甲基甲酰胺二环己基缩醛

Database IDs

• CAS Number: 2016-05-9
• EC Number: 217-947-2
• MDL Number: MFCD00003851
• PubChem SID: 162233248; 24848536
• PubChem CID: 74838

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.32831
• LogD (pH = 7.4): 4.406509
• Log P: 4.407603
• Molar Refractivity: 74.3424 cm^3
• Polarizability: 29.810308 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 115-116 °C/0.75 mmHg(lit.)
• Flash Point: 195.8 °F; 91 °C
• Density: 0.958 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4678(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Linear Formula: (CH3)2NCH(OC6H11)2