Basic information
- CAS
6338-47-2- Standard SMILES
CCOC(=O)Cn1cnc(C)c1- InChIKey
PDRSVDAPBJIQNT-UHFFFAOYSA-N- Molecular formula
- C8H12N2O2
- Average molar mass
- 168.19 g/mol
- Monoisotopic mass
- 168.08987763
Names & identifiers
- Preferred name
- ethyl 2-(4-methyl-1H-imidazol-1-yl)acetate
- IUPAC
- ethyl 2-(4-methylimidazol-1-yl)acetate
- English name
- 1H-Imidazole-1-acetic acid, 4-methyl-, ethyl ester
- Molecular formula
- C8H12N2O2
- Molecular weight
- 168.19
Names & synonyms
ethyl 2-(4-methyl-1H-imidazol-1-yl)acetateRefChem:593885978-589-7ethyl 2-(4-methylimidazol-1-yl)acetate6338-47-2MLS002608271MFCD21336474NSC40747SCHEMBL3711683CHEMBL1894091DTXSID40979544PDRSVDAPBJIQNT-UHFFFAOYSA-N
Show more names
1H-Imidazole-1-acetic acid, 4-methyl-, ethyl ester
HMS3092F11ethyl 4-methylimidazol-1-ylacetateNSC-40747ethyl2-(4-methylimidazol-1-yl)acetateBS-32650SMR001527022DB-342688Ethyl (4-methyl-1H-imidazol-1-yl)acetate
Database identifiers
- CAS
6338-47-2- PubChem CID
- 237336
- DTXSID
DTXSID40979544- ChEMBL
CHEMBL1894091- EC Number
- 978-589-7
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933299090 · 2933299090
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- hs_code
- 2933299090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Related reactions
12 records
Compound notes
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