Basic information
- CAS
2114-14-9- Standard SMILES
C=C(C)COC(N)=O- InChIKey
MNPKKYZUEZVQNJ-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- Methallyl carbamate
- IUPAC
- 2-methylprop-2-enyl carbamate
- English name
- 2-methylprop-2-enyl carbamate
- Molecular formula
- C5H9NO2
- Molecular weight
- 115.13
Names & synonyms
Methallyl carbamateCARBAMIC ACID, 2-METHYLALLYL ESTER0CB506VO6N2-Methyl-2-propen-1-ol carbamateNSC 66325NSC-663252-Propen-1-ol, 2-methyl-, carbamateBRN 2959681UNII-0CB506VO6NAI3-02681DTXSID101753792-PROPEN-1-OL, 2-METHYL-, 1-CARBAMATE
Show more names
MNPKKYZUEZVQNJ-UHFFFAOYSA-NCarbamic acid 2-methyl-2-propenyl ester
RefChem:1568512-Propen-1-ol, 2-methyl-, carbamate (8CI,9CI)DTXCID5097870654-647-42114-14-92-methylprop-2-enyl carbamate2-Methylallyl carbamate(2-methylprop-2-en-1-yl) carbamate
Database identifiers
- CAS
2114-14-9- PubChem CID
- 16455
- DTXSID
DTXSID10175379- UNII
- 0CB506VO6N
- EC Number
- 654-647-4
- Nikkaji
- J42.902C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Melting point
- 51 · 51-52 °C
- Boiling point
- 214.8 · 214.8±19.0 °C(Predicted)
- Density
- 1.017 · 1.017±0.06 g/cm3(Predicted)
- pka
- 13.32 · 13.32±0.50(Predicted)
- FDA UNII
- 0 CB506VO6N · 0CB506VO6N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
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
- H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses(2-Methylprop-2-en-1-yl) Carbamate is a useful reagent for carbamoylation reactions. It is used in the stereoselective synthesis of acyclic 1,3-diol systems.
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
1 records
Compound notes
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