Basic information
- CAS
687-48-9- Standard SMILES
CCOC(=O)N(C)C- InChIKey
SUDHEDJJFGYYPL-UHFFFAOYSA-N- Molecular formula
- C5H11NO2
- Average molar mass
- 117.15 g/mol
- Monoisotopic mass
- 117.07897859
Overview
structure given in first source
Names & identifiers
- Preferred name
- Carbamic acid, N,N-dimethyl-, ethyl ester
- IUPAC
- ethyl N,N-dimethylcarbamate
- English name
- ethyl dimethylcarbamate
- Molecular formula
- C5H11NO2
- Molecular weight
- 117.15
Names & synonyms
ETHYL DIMETHYLCARBAMATE687-48-9Ethyl N,N-dimethylcarbamateDimethylethoxyformamideN,N-DimethylurethaneCarbamic acid, dimethyl-, ethyl esterDimethylcarbamic acid ethyl esterCarbamic acid, N,N-dimethyl-, ethyl esterNSC-14090MS4FB5752RDTXSID40218829RefChem:596178
Show more names
M00002756Cariprazine Impurity 22N,N-Dimethylcarbamic acid ethyl ester
DTXCID40141320211-695-7Di-N-methyl ethyl carbamateMFCD01738220Ethyldimethyl carbamateEthyl N,N-dimethyl carbamateEthyl N,N-dimethylcarbaminateCCRIS 4092
Database identifiers
- CAS
687-48-9- PubChem CID
- 12709
- DTXSID
DTXSID40218829- UNII
- MS4FB5752R
- EC Number
- 211-695-7
- Nikkaji
- J33.940G
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.5
Experimental & physicochemical properties
LogP0.89
Physicochemical properties
- Melting point
- 60 °C · 60°C (estimate)
- Boiling point
- 205.82 °C · 205.82°C (estimate)
- Density
- 0.9308 · 0.9308 (estimate)
- refractive index
- 1.4154 · 1.4154 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- -1.28 · -1.28±0.70(Predicted)
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 4 FB5752R · MS4FB5752R
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302-H315-H319-H335
- Precautionary statements
- 210 · P210-P261-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H225-H302-H315-H319-H335
- Precautionary statements
- P210-P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers34 total
上海凛南医药科技有限公司15900633975;13262632028 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
9 records
Compound notes
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