Basic information
- Name:
Undulatine (Alstonia)
- CAS No.:
123871-90-9
- Molecular Structure:
- Formula:
- C18H21NO5
- Molecular Weight:
- 331.363
- Synonyms:
- 3, 7-Dimethoxy-1, 2-epoxycrinan;
- Density:
- 1.43 g/cm3
- Boiling Point:
- 475.8 °C at 760 mmHg
- Flash Point:
- 144.9 °C
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Specification
The Undulatine (Alstonia), with the CAS registry number of , is also known as Undulatine. This chemical's molecular formula is C18H21NO5 and molecular weight is 331.363. What's more, its systematic name is called 3, 7-Dimethoxy-1, 2-epoxycrinan.
Physical properties about Undulatine (Alstonia) are: (1)ACD/LogP: 2.57; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 52.69 Å2; (7)Index of Refraction: 1.653; (8)Molar Refractivity: 84.58 cm3; (9)Molar Volume: 230.9 cm3; (10)Surface Tension: 61.2 dyne/cm; (11)Density: 1.43 g/cm3; (12)Flash Point: 144.9 °C; (13)Enthalpy of Vaporization: 73.94 kJ/mol; (14)Boiling Point: 475.8 °C at 760 mmHg; (15)Vapour Pressure: 3.21E-09 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O(c1c6OCOc6cc2c1CN3CCC24C3CC(OC)C5OC45)C
(2) InChI: InChI=1/C18H21NO5/c1-20-11-6-13-18(17-16(11)24-17)3-4-19(13)7-9-10(18)5-12-15(14(9)21-2)23-8-22-12/h5,11,13,16-17H,3-4,6-8H2,1-2H3
(3) InChIKey: XHXKHSUJQVCHTA-UHFFFAOYAT