2-(Dimethylamino)ethyl N-(2-methoxyphenyl)carbamate
Basic information
- CAS
86817-90-5- Standard SMILES
COc1ccccc1NC(=O)OCCN(C)C- InChIKey
BCRUKIRKEVXOOW-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- 2-(Dimethylamino)ethyl N-(2-methoxyphenyl)carbamate
- IUPAC
- 2-(dimethylamino)ethyl N-(2-methoxyphenyl)carbamate
- English name
- 2-(Dimethylamino)ethyl N-(2-methoxyphenyl)carbamate
- Molecular formula
- C12H18N2O3
- Molecular weight
- 238.28
Names & synonyms
2-(dimethylamino)ethyl N-(2-methoxyphenyl)carbamateRefChem:46080886817-90-5667-101-52-dimethylaminoethyl N-(2-methoxyphenyl)carbamateAKOS024335051Carbamic acid, (2-methoxyphenyl)-, 2-(dimethylamino)ethyl ester (9CI)
Database identifiers
- CAS
86817-90-5- PubChem CID
- 50033
- EC Number
- 667-101-5
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
LogP1.15
Physicochemical properties
- Boiling point
- 303.6 · 303.6±27.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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Related reactions
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Compound notes
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