5-hydroxy-1H-imidazole-4-carboxamide
Basic information
- CAS
56973-26-3- Standard SMILES
NC(=O)c1[nH]cnc1O- InChIKey
UEWSIIBPZOBMBL-UHFFFAOYSA-N- Molecular formula
- C4H5N3O2
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.03817641
Overview
5-hydroxyimidazole-4-carboxamide is a hydroxyimidazole that is 5-hydroxyimidazole in which the hydrogen at position 4 is replaced by an aminocarbonyl group. It has a role as an antineoplastic agent. It is a monocarboxylic acid amide and a hydroxyimidazole.
Names & identifiers
- Preferred name
- 5-hydroxy-1H-imidazole-4-carboxamide
- IUPAC
- 4-hydroxy-1H-imidazole-5-carboxamide
- English name
- 5-Hydroxy-1H-imidazole-4-carboxamide
- Molecular formula
- C4H5N3O2
- Molecular weight
- 127.1
Names & synonyms
5-hydroxy-1H-imidazole-4-carboxamide56973-26-34-carbamoylimidazolium 5-olate5-hydroxyimidazole 4-carboxamideSM-108NSC-266026U6IZ97918FDTXSID60205574RefChem:536241DTXCID90128065Bredinin aglycone4-hydroxy-1H-imidazole-5-carboxamide
Show more names
AHMAmpbaSL-1207SM 108)Imazolipine MZB1FF-10501-01 (FF-10501SM-108【antitumor agent】4-Carbamoylimidazolium-5-olate4-carbamoyl-5-hydroxyimidazole
alpha-Propionyl-dihydroartemetherSM 108mizoribine base1H-Imidazole-4-carboxamide, 5-hydroxy-5-HYDROXY-3H-IMIDAZOLE-4-CARBOXAMIDEUNII-U6IZ97918FMFCD09753122CHEBI:88290
Database identifiers
- CAS
56973-26-3- PubChem CID
- 124343
- DTXSID
DTXSID60205574
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 260 °C · 260°C
- Boiling point
- 575 · 575.0±35.0 °C(Predicted)
- Density
- 1.627 · 1.627
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Water (Slightly)
- form
- Solid
- pka
- 7.2 · 7.20±0.15(Predicted)
- color
- Grey
- FDA UNII
- 6 IZ97918F · U6IZ97918F
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H302-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-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
- H315-H302-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses5-Hydroxy-3H-imidazole-4-carboxamide (cas# 56973-26-3) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: A hydroxyimidazole that is 5-hydroxyimidazole in which the hydrogen at position 4 is replaced by an aminocarbonyl group.
Related reactions
1 records
Compound notes
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