L-Aspartic acid,N-[3-(triethoxysilyl)propyl]-, diethyl ester (9CI) supplier

Name
diethyl N-[3-(triethoxysilyl)propyl]-L-aspartate
EINECS 304-678-1
CAS No. 94277-93-7
Article Data2
CAS DataBase
Density 1.035 g/cm³
Solubility
Melting Point
Formula C₁₇H₃₅NO₇Si
Boiling Point 422.5 °C at 760 mmHg
Molecular Weight 393.553
Flash Point 209.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Diethyl N-[3-(triethoxysilyl)propyl]-L-aspartate;Diethyl (2S)-2-(3-triethoxysilylpropylamino)butanedioate;N-[3-(Triethoxysilyl)propyl]-L-aspartic acid diethyl ester;
PSA 92.32000
LogP 2.29030

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^-24cm³; (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

Product Name

diethyl N-[3-(triethoxysilyl)propyl]-L-aspartate

L-Aspartic acid,N-[3-(triethoxysilyl)propyl]-, diethyl ester (9CI) Specification

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