China (Mainland)
Tetradecyl nicotinate CAS NO.273203-62-6
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- Product Details
Keywords
- 273203-62-6
- Tetradecyl nicotinate
Quick Details
- ProName: Tetradecyl nicotinate
- CasNo: 273203-62-6
- Molecular Formula: C20H33NO2
- Appearance: White crystalline powder
- Application: intermediate
- PackAge: 25KG/drum
- Port: shanghai
- ProductionCapacity: /Day
- Purity: 98%
- Storage: storage in shady and cool warehouse
- Transportation: transport as the regulation of chemica...
- LimitNum: 0 Metric Ton
Superiority
1.Properties of Tetradecyl nicotinate
(1)ACD/LogP: 7.79 (2)# of Rule of 5 Violations: 1
(3)ACD/LogD (pH 5.5): 7.79 (4)ACD/Log
Details
1.Properties of Tetradecyl nicotinate
(1)ACD/LogP: 7.79 (2)# of Rule of 5 Violations: 1
(3)ACD/LogD (pH 5.5): 7.79 (4)ACD/LogD (pH 7.4): 7.79
(5)ACD/BCF (pH 5.5): 487412.00 (6)ACD/BCF (pH 7.4): 489773.00
(7)ACD/KOC (pH 5.5): 409603.70 (8)ACD/KOC (pH 7.4): 411587.70
(9)#H bond acceptors: 3 (10)#H bond donors: 0
(11)#Freely Rotating Bonds: 15 (12)Polar Surface Area: 39.19 ?2
(13)Index of Refraction: 1.487 (14)Molar Refractivity: 96.345 cm3
(15)Molar Volume: 335.138 cm3 (16)Polarizability: 38.194 10-24cm3
(17)Surface Tension: 36.4500007629395 dyne/cm (18)Density: 0.953 g/cm3
(19)Flash Point: 202.809 °C (20)Enthalpy of Vaporization: 66.425 kJ/mol
(21)Boiling Point: 411.733 °C at 760 mmHg (22)Vapour Pressure: 0 mmHg at 25°C
2.Structure descriptor of Tetradecyl nicotinate
SMILES:
O=C(OCCCCCCCCCCCCCC)c1cccnc1
Std. InChI:
InChI=1S/C20H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-23-20(22)19-15-14-16-21-18-19/h14-16,18H,2-13,17H2,1H3
Std. InChIKey:
TVGLGJWCZSCAEM-UHFFFAOYSA-N
