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| CAS No.: | 80906-67-8 |
|---|---|
| Name: | N-(3-TRIMETHOXYSILYLPROPYL)PYRROLE |
| Molecular Structure: | |
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| Formula: | C10H19NO3Si |
| Molecular Weight: | 229.351 |
| Synonyms: | N-((3-Trimethoxysilyl)propyl)pyrrole; |
| Density: | 0.989 g/cm3 |
| Boiling Point: | 247.422 °C at 760 mmHg |
| Flash Point: | 103.438 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 32.62000 |
| LogP: | 1.75630 |
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Specification
The systematic name of N-(3-Trimethoxysilylpropyl)pyrrole is 1-[3-(trimethoxysilyl)propyl]-1H-pyrrole. With the CAS registry number 80906-67-8, it is also named as 1H-Pyrrole,1-[3-(trimethoxysilyl)propyl]-.Besides, its molecular formula is C10H19NO3Si and its molecular weight is 229.35.
The other characteristics of N-(3-Trimethoxysilylpropyl)pyrrole can be summarized as: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 9; (6)ACD/BCF (pH 7.4): 9; (7)ACD/KOC (pH 5.5): 168; (8)ACD/KOC (pH 7.4): 168; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 7; (12)Polar Surface Area: 32.62 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 62.789 cm3; (15)Molar Volume: 231.948 cm3; (16)Polarizability: 24.892×10-24cm3; (17)Surface Tension: 26.991 dyne/cm; (18)Density: 0.989 g/cm3; (19)Flash Point: 103.438 °C; (20)Enthalpy of Vaporization: 46.496 kJ/mol; (21)Boiling Point: 247.422 °C at 760 mmHg; (22)Vapour Pressure: 0.04 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following: N-(3-Trimethoxysilylpropyl)pyrrole is irritating to eyes, respiratory system and skin. Please wear suitable protective clothing, gloves and eye/face protection. Besides, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES:CO[Si](CCCn1cccc1)(OC)OC
(2)InChI:InChI=1/C10H19NO3Si/c1-12-15(13-2,14-3)10-6-9-11-7-4-5-8-11/h4-5,7-8H,6,9-10H2,1-3H3
(3)InChIKey:FTDRQHXSYGDMNJ-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C10H19NO3Si/c1-12-15(13-2,14-3)10-6-9-11-7-4-5-8-11/h4-5,7-8H,6,9-10H2,1-3H3
(5)Std. InChIKey:FTDRQHXSYGDMNJ-UHFFFAOYSA-N