Basic information
- CAS
25023-22-7- Standard SMILES
COC(=O)Cn1ccnc1- InChIKey
MENQOXBTQWXPJA-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Names & identifiers
- Preferred name
- Methyl 1H-imidazol-1-ylacetate
- IUPAC
- methyl 2-imidazol-1-ylacetate
- English name
- IMIDAZOL-1-YL-ACETIC ACID METHYL ESTER
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
25023-22-7Methyl 1H-imidazol-1-ylacetateDTXSID20339622RefChem:353494DTXCID60290703Methyl 2-(1H-imidazol-1-yl)acetateMethyl 2-(1-Imidazolyl)acetatemethyl 2-imidazol-1-ylacetateImidazol-1-yl-acetic acid methyl esterMFCD11183411methyl 2-(imidazol-1-yl)acetateMethyl Imidazol-1-yl-acetate-D3
Show more names
2-(1-imidazoleyl)acetic acidmethyl ester
1H-Imidazole-1-acetic acid, methyl estermethyl imidazolyl acetatemethyl 2-imidazolylacetateCHEMBL47996SCHEMBL1234421SCHEMBL2853083SCHEMBL5982939Methyl (1H-imidazol-1-yl)acetate
Database identifiers
- CAS
25023-22-7- PubChem CID
- 557332
- DTXSID
DTXSID20339622- ChEMBL
CHEMBL47996
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 55 °C · 55 °C
- Boiling point
- 282.5 · 282.5±23.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.21 · 6.21±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers33 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海沃见生物科技有限公司021-18017654 18017654809 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
云南博泉金属材料有限公司13160237726 13160237726 · [email protected]
河北药成医药科技有限责任公司19903117580 19903117510 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
嘉兴中科化学有限公司0086-573-82585213 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Compound notes
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