ethyl 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxylate
Basic information
- CAS
34605-62-4- Standard SMILES
CCOC(=O)c1c(C)nn(C)c1N- InChIKey
HNAXVECMNRHKAR-UHFFFAOYSA-N- Molecular formula
- C8H13N3O2
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.10077667
Names & identifiers
- Preferred name
- ethyl 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-amino-1,3-dimethylpyrazole-4-carboxylate
- English name
- 1H-Pyrazole-4-carboxylic acid, 5-aMino-1,3-diMethyl-, ethyl ester
- Molecular formula
- C8H13N3O2
- Molecular weight
- 183.21
Names & synonyms
ethyl 5-amino-1,3-dimethyl-1H-pyrazole-4-carboxylate34605-62-4DTXSID20358535RefChem:344217DTXCID50309590851-620-0ethyl 5-amino-1,3-dimethylpyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 5-amino-1,3-dimethyl-, ethyl esterMFCD02182091SCHEMBL10577895JBA60562AKOS022641383
Show more names
5-amino-1,3-dimethylpyrazole-4-ethyl formate5-AMino-1, 3-diMethyl-1H-Pyrazole-4-carboxalate5-Amino-1,3-dimethyl-1H-pyrazol-4-carboxylic acid ethyl ester
DB-142429CS-0249406EN300-43405G87035AJ-077/14441003F663945ethyl5-amino-1,3-dimethyl-1H-pyrazole-4-carboxylateZ440623562
Database identifiers
- CAS
34605-62-4- PubChem CID
- 901798
- DTXSID
DTXSID20358535- EC Number
- 851-620-0
- Nikkaji
- J468.914C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Melting point
- 107 · 107-109 °C(Solv: ethanol (64-17-5))
- Boiling point
- 133 · 133-135 °C(Press: 0.4 Torr)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 2.5 · 2.50±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
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 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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