1,4-Dihexadecyl-1,4-diazepane supplier

Name
1,4-Dihexadecyl-1,4-diazepane
EINECS
CAS No. 21148-98-1
Density 0.852 g/cm³
Solubility
Melting Point
Formula C₃₇H₇₆N₂
Boiling Point 605.1 °C at 760 mmHg
Molecular Weight 549.02384
Flash Point 259 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

1,4-Dihexadecyl-1,4-diazepane Specification

The CAS register number of 1,4-Dihexadecyl-1,4-diazepane is 21148-98-1. The molecular formula about this chemical is C₃₇H₇₆N₂ and the molecular weight is 549.02384.

Physical properties about 1,4-Dihexadecyl-1,4-diazepane are: (1)ACD/LogP: 16.13; (2)# of Rule of 5 Violations: 2; (3)#H bond acceptors: 2; (4)#Freely Rotating Bonds: 30; (5)Polar Surface Area: 6.48 Å²; (6)Index of Refraction: 1.466; (7)Molar Refractivity: 178.56 cm³; (8)Molar Volume: 643.6 cm³; (9)Polarizability: 70.78x10^-24cm³; (10)Surface Tension: 32.4 dyne/cm; (11)Density: 0.852 g/cm³; (12)Flash Point: 259 °C; (13)Enthalpy of Vaporization: 89.97 kJ/mol; (14)Boiling Point: 605.1 °C at 760 mmHg; (15)Vapour Pressure: 1.37E-14 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: N1(CCCN(CCCCCCCCCCCCCCCC)CC1)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C37H76N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-38-34-31-35-39(37-36-38)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
(3)InChIKey: KJLKHRFODDCKOS-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C37H76N2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-38-34-31-35-39(37-36-38)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
(5)Std. InChIKey: KJLKHRFODDCKOS-UHFFFAOYSA-N

Product Name

1,4-Dihexadecyl-1,4-diazepane

1,4-Dihexadecyl-1,4-diazepane Specification

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