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Cas Database |
| Name |
L-Aspartic acid,N-[3-(triethoxysilyl)propyl]-, diethyl ester (9CI) |
EINECS | 304-678-1 |
| CAS No. | 94277-93-7 | Density | 1.035 g/cm3 |
| PSA | 92.32000 | LogP | 2.29030 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C17H35NO7Si | Boiling Point | 422.5 °C at 760 mmHg |
| Molecular Weight | 393.553 | Flash Point | 209.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Diethyl N-[3-(triethoxysilyl)propyl]-L-aspartate;Diethyl (2S)-2-(3-triethoxysilylpropylamino)butanedioate;N-[3-(Triethoxysilyl)propyl]-L-aspartic acid diethyl ester; |
Article Data | 2 |
L-Aspartic acid,N-[3-(triethoxysilyl)propyl]-, diethyl ester (9CI) Specification
The L-Aspartic acid,N-[3-(triethoxysilyl)propyl]-, diethyl ester (9CI), with the CAS registry number 94277-93-7, is also known as Diethyl N-[3-(triethoxysilyl)propyl]-L-aspartate. Its EINECS number is 304-678-1. This chemical's molecular formula is C17H35NO7Si and molecular weight is 393.55. What's more, its systematic name is Diethyl (2S)-2-(3-triethoxysilylpropylamino)butanedioate.
Physical properties of L-Aspartic acid,N-[3-(triethoxysilyl)propyl]-, diethyl ester (9CI) are: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.31; (4)ACD/LogD (pH 7.4): 3.39; (5)#H bond acceptors: 8; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 18; (8)Polar Surface Area: 92.32 Å2; (9)Index of Refraction: 1.448; (10)Molar Refractivity: 101.86 cm3; (11)Molar Volume: 380.1 cm3; (12)Polarizability: 40.38×10-24 cm3; (13)Surface Tension: 31.6 dyne/cm; (14)Density: 1.035 g/cm3; (15)Flash Point: 209.3 °C; (16)Enthalpy of Vaporization: 67.67 kJ/mol; (17)Boiling Point: 422.5 °C at 760 mmHg; (18)Vapour Pressure: 2.4E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCO[Si](OCC)(OCC)CCCN[C@@H](CC(=O)OCC)C(=O)OCC
(2)InChI: InChI=1S/C17H35NO7Si/c1-6-21-16(19)14-15(17(20)22-7-2)18-12-11-13-26(23-8-3,24-9-4)25-10-5/h15,18H,6-14H2,1-5H3/t15-/m0/s1
(3)InChIKey: NJENXARIYIZSNO-HNNXBMFYSA-N
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