Basic information
- CAS
21190-16-9- Standard SMILES
CCOC(=O)c1[nH]cnc1N- InChIKey
NJMORFFDAXJHHM-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947653
Names & identifiers
- Preferred name
- ethyl 4-amino-1H-imidazole-5-carboxylate
- IUPAC
- ethyl 4-amino-1H-imidazole-5-carboxylate
- English name
- ETHYL 4-AMINO-5-IMIDAZOLECARBOXYLATE
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
Ethyl 4-amino-1H-imidazole-5-carboxylateDTXSID50321878RefChem:595289DTXCID50272997802-162-521190-16-9ETHYL 5-AMINO-1H-IMIDAZOLE-4-CARBOXYLATEEthyl 4-amino-5-imidazolecarboxylateETHYL 5-AMINOIMIDAZOLE-4-CARBOXYLATEMFCD068584535-amino-4-ethoxycarbonylimidazole4-amino-5-ethoxy-carbonylimidazole
Show more names
158126ETHYL 4-AMINO-5-IMIDAZOLECAREthyl-4-aMino-5-iMidazolecarboxyltaethyl 4-amino-1H-imidazole-5-carboxylateethyl 5-aMino-1H-iMidazole-4-carboxylate HCL
WAA190165-amino-1H-imidazole-4-carboxylic acid ethyl esterMFCD00823435AKOS011050006AKOS0158546711H-Imidazole-4-carboxylic acid, 5-amino-, ethyl esterImidazole, 4-amino-5-ethyloxycarbonyl-SR-01000513190-1
Database identifiers
- CAS
21190-16-9- PubChem CID
- 343359
- DTXSID
DTXSID50321878- EC Number
- 802-162-5
- Nikkaji
- J2.675.495J
Properties
Computed structural properties
- XLogP
- -0.4
- 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
- Melting point
- 180 · 180-181 °C
- Boiling point
- 391.2 · 391.2±22.0 °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
- 11.66 · 11.66±0.10(Predicted)
- Appearance
- White to gray Solid
- InChI
- InChI=1S/C6H9N3O2/c1-2-11-6(10)4-5(7)9-3-8-4/h3H,2,7H2,1H3,(H,8,9)
- InChIKey
- NJMORFFDAXJHHM-UHFFFAOYSA-N
- SMILES
- C1NC(N)=C(C(OCC)=O)N=1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
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)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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