1-(Dimethoxymethyl)hexahydro-1H-azepine supplier

Name
N-FORMYLHEXAMETHYLENEIMINE DIMETHYL ACETAL
EINECS 251-282-9
CAS No. 32895-16-2
Article Data2
CAS DataBase
Density 0.962 g/cm³
Solubility
Melting Point
Formula C₉H₁₉NO₂
Boiling Point 203.2 °C at 760 mmHg
Molecular Weight 173.255
Flash Point 54.1 °C
Transport Information
Appearance Colourless to slightly yellowish clear solution
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Azepinium,1-formylhexahydro-, dimethyl acetal (8CI);1-(Dimethoxymethyl)hexahydroazepine;1-Hexamethyleniminecarboxaldehyde dimethyl acetal;N-Formylhexamethyleneiminedimethyl acetal;
PSA 21.70000
LogP 1.37670

1-(Dimethoxymethyl)hexahydro-1H-azepine Specification

The 1-(Dimethoxymethyl)hexahydro-1H-azepine with the cas number 32895-16-2 is also called 1H-Azepine,1-(dimethoxymethyl)hexahydro-. Both the systematic name and IUPAC name are 1-(dimethoxymethyl)azepane. Its EINECS registry number is 251-282-9. The molecular formula is C₉H₁₉NO₂.

The properties of the chemical are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 36.56; (6)ACD/BCF (pH 7.4): 52.81; (7)ACD/KOC (pH 5.5): 411.42; (8)ACD/KOC (pH 7.4): 594.31; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.452; (14)Molar Refractivity: 48.59 cm³; (15)Molar Volume: 180 cm³; (16)Polarizability: 19.26×10^-24cm³; (17)Surface Tension: 31.2 dyne/cm; (18)Enthalpy of Vaporization: 43.94 kJ/mol; (19)Vapour Pressure: 0.281 mmHg at 25°C.

Preparation: This chemical can be prepared by azepane and dimethoxymethyl-dimethyl-amine. This reaction needs the temperature of 190 °C. The reaction time is 2.0 hours. The yield is 61%.

Uses: This chemical can react with phenylphosphane to product C-(Hexamethyleneimino)methylidene-P-phenylphosphine. This reaction needs heating. The reaction time is 30 min. The yield is 75%.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C(OC)N1CCCCCC1)C
(2)InChI: InChI=1/C9H19NO2/c1-11-9(12-2)10-7-5-3-4-6-8-10/h9H,3-8H2,1-2H3
(3)InChIKey: LNCAEXDPLKQRAU-UHFFFAOYAM

Product Name

N-FORMYLHEXAMETHYLENEIMINE DIMETHYL ACETAL

1-(Dimethoxymethyl)hexahydro-1H-azepine Specification

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