Methyl [3-(trimethoxysilyl)propyl]carbamate
Basic information
- CAS
23432-62-4- Standard SMILES
COC(=O)NCCC[Si](OC)(OC)OC- InChIKey
MVCSJYRFFFDKCX-UHFFFAOYSA-N- Molecular formula
- C8H19NO5Si
- Average molar mass
- 237.33 g/mol
- Monoisotopic mass
- 237.10324924
Names & identifiers
- Preferred name
- Methyl [3-(trimethoxysilyl)propyl]carbamate
- IUPAC
- methyl N-(3-trimethoxysilylpropyl)carbamate
- English name
- Methyl [3-(trimethoxysilyl)propyl]carbamate
- Molecular formula
- C8H19NO5Si
- Molecular weight
- 237.33
Names & synonyms
23432-62-4Methyl (3-(trimethoxysilyl)propyl)carbamateMETHYL [3-(TRIMETHOXYSILYL)PROPYL]CARBAMATEDTXSID30448812W3DE3EQ54EINECS 245-659-7Carbamic acid, (3-(trimethoxysilyl)propyl)-, methyl esterDTXCID1024881Carbamic acid, N-(3-(trimethoxysilyl)propyl)-, methyl esterCarbamic acid, [3-(trimethoxysilyl)propyl]-, methyl esterCarbamic acid, N-[3-(trimethoxysilyl)propyl]-, methyl esterRefChem:812246
Show more names
N-TRIMETHOXYSILYLPROPYLMETHYLCARBAMATEMethy[3-(trimethoxyslyJpropy lcarbamateMethylN-(3-Trimethoxysilylpropyl)Carbamate[3-(trimethoxysilyl)propyl]-carbamicacimethylester[3-(Trimethoxysilyl)propyl]carbamic acid methyl esterCarbamicacid,[3-(trimethoxysilyl)propyl]-,methylesterN-[3-(Trimethoxysilyl)propyl]carbamic acid methyl ester
245-659-7methyl N-(3-trimethoxysilylpropyl)carbamatemethyl N-[3-(trimethoxysilyl)propyl]carbamateMFCD00069156C8H19NO5SiUNII-2W3DE3EQ54SCHEMBL467687CHEMBL3187265
Database identifiers
- CAS
23432-62-4- PubChem CID
- 90098
- DTXSID
DTXSID3044881- ChEMBL
CHEMBL3187265- UNII
- 2W3DE3EQ54
- EC Number
- 245-659-7
- Nikkaji
- J228.962H
Properties
Computed structural properties
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 102 °C · 102°C 7,5mm
- Density
- 1 · 1,109 g/cm3
- vapor pressure
- 0 · 0-12790Pa at 20-25℃
- Flash point
- 141 °C · 141°C
- pka
- 12.66 · 12.66±0.46(Predicted)
- Specific Gravity
- 1.1087 · 1.1087
- Viscosity
- 2.9 mm2/s · 2.9mm2/s
- Water Solubility
- 43.9 · 43.9-1000g/L at 20℃
- Hydrolytic Sensitivity
- 7 · 7: reacts slowly with moisture/water
- InChI
- InChI=1S/C8H19NO5Si/c1-11-8(10)9-6-5-7-15(12-2,13-3)14-4/h5-7H2,1-4H3,(H,9,10)
- InChIKey
- MVCSJYRFFFDKCX-UHFFFAOYSA-N
- SMILES
- C(OC)(=O)NCCC[Si](OC)(OC)OC
- LogP
- -2.9 · -2.9-0.8
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 71.4% (5 of 7) of all reports.
Warning
H373 (28.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P319, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Carbamic acid, [3-(trimethoxysilyl)propyl]-, methyl ester
Carbamic acid, N-[3-(trimethoxysilyl)propyl]-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Carbamic acid, N-[3-(trimethoxysilyl)propyl]-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Methyl [3-(trimethoxysilyl)propyl]carbamate (EC: 245-659-7)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesSTOT RE 2 (28.6%)
Safety data
- tsca
- TSCA listed
- risk_code
- 20-61
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- safety_code
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Carbamic acid, N-[3-(trimethoxysilyl)propyl]-, methyl ester: ACTIVE
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
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Compound notes
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