Basic information
- CAS
149520-94-5- Standard SMILES
CCOC(=O)c1cnc(N)[nH]1- InChIKey
NGJGNTZJCFFZLK-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947654
Names & identifiers
- Preferred name
- Ethyl 2-amino-1H-imidazole-5-carboxylate
- IUPAC
- ethyl 2-amino-1H-imidazole-5-carboxylate
- English name
- 1H-Imidazole-4-carboxylicacid,2-amino-,ethylester(9CI)
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
ethyl 2-amino-1h-imidazole-5-carboxylate149520-94-5DTXSID00341460RefChem:342582DTXCID20292541696-410-8Ethyl 2-amino-1H-imidazole-4-carboxylateEthyl 2-Aminoimidazole-5-carboxylateMFCD098644461H-Imidazole-4-carboxylicacid,2-amino-,ethylester(9CI)1H-Imidazole-5-carboxylic acid, 2-amino-, ethyl esterEthyl2-amino-1H-imidazole-5-carboxylate
Show more names
2-amino-1H-imidazoLETHYL 2-AMINO-1H-IMIDAZOLE-(4)5-CARBOXYLATEEthyl 2-amino-1H-imidazole-5-carboxylate 97+%1H-IMidazole-4-carboxylicacid,2-aMino-,ethylester2-amino-1H-Imidazole-5-carboxylic acid ethyl ester1H-Imidazol-4-carboxylic acid,2-amino-,ethyl ester(9CI)
CS-W0036701H-IMIDAZOLE-4-CARBOXYLIC ACID, 2-AMINO-, ETHYL ESTERAM20080378Ethyl 2-amino-1H-imidazole-[4]5-carboxylateA808911SCHEMBL369489SCHEMBL1407854STL434892
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 363.6 · 363.6±34.0 °C(Predicted)
- Density
- 1.318 · 1.318±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 12.21 · 12.21±0.10(Predicted)
- form
- powder
- color
- Pale reddish yellow
- InChI
- InChI=1S/C6H9N3O2/c1-2-11-5(10)4-3-8-6(7)9-4/h3H,2H2,1H3,(H3,7,8,9)
- InChIKey
- NGJGNTZJCFFZLK-UHFFFAOYSA-N
- SMILES
- C1(N)NC(C(OCC)=O)=CN=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P304+P340
- HazardClass
- IRRITANT
- HS Code
- 2922390090 · 2922390090
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 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Safety data
- hs_code
- 2922390090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P304+P340
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers88 total
宁波振岳医药科技有限公司19817745290 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
Aladdin Scientific[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…