1H-imidazole-5-carbohydrazide
Basic information
- CAS
18329-78-7- Standard SMILES
NNC(=O)c1cnc[nH]1- InChIKey
FYMACJSAHLBMHV-UHFFFAOYSA-N- Molecular formula
- C4H6N4O
- Average molar mass
- 126.12 g/mol
- Monoisotopic mass
- 126.05416083
Names & identifiers
- Preferred name
- 1H-imidazole-5-carbohydrazide
- IUPAC
- 1H-imidazole-5-carbohydrazide
- English name
- 1H-Imidazole-5-carbohydrazide
- Molecular formula
- C4H6N4O
- Molecular weight
- 126.12
Names & synonyms
1H-Imidazole-5-carbohydrazideRefChem:438426974-566-018329-78-71h-imidazole-4-carbohydrazide1H-Imidazole-5-carboxylic acid, hydrazideNSC14584Imidazole, 4-carbhydrazino-CHEMBL122319SCHEMBL1436858SCHEMBL2827683Imidazole, 5-hydrazinocarbonyl-
Show more names
1H-Imidazole-4-carboxylic acid hydrazide
1H-Imidazole-5-carbohydrazide #DTXSID80939708TAA329781H-Imidazole-5-carbohydrazonic acidimidazole-4-carboxylic acid hydrazideMFCD21086726NSC-145845-Imidazolecarboxylic acid, hydrazide
Database identifiers
- CAS
18329-78-7- PubChem CID
- 225355
- DTXSID
DTXSID80939708- ChEMBL
CHEMBL122319- EC Number
- 974-566-0
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Melting point
- 203 · 203-204 °C
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- pka
- 11.87 · 11.87±0.10(Predicted)
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, P317, 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 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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