5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Basic information
- CAS
5346-53-2- Standard SMILES
N#Cc1cnn(CCO)c1N- InChIKey
FOZZJAVSCUBGPM-UHFFFAOYSA-N- Molecular formula
- C6H8N4O
- Average molar mass
- 152.15 g/mol
- Monoisotopic mass
- 152.06981088
Names & identifiers
- Preferred name
- 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
- English name
- 5-Amino-4-cyano-1-(2-hydroxyethyl)pyrazole
- Molecular formula
- C6H8N4O
- Molecular weight
- 152.15
Names & synonyms
5346-53-25-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrileDTXSID20968153RefChem:101895DTXCID001395741611-002-15-Amino-4-cyano-1-(2-hydroxyethyl)-pyrazole5-AMINO-1-(2-HYDROXYETHYL)PYRAZOLE-4-CARBONITRILE5-amino-4-cyano-1-(2-hydroxyethyl)pyrazoleMFCD000207395-Amino-4-cyano-1-(2-hydroethyl)pyrazole1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-hydroxyethyl)-
Show more names
AKOS BBS-00005324BUTTPARK 87\09-37AMino-1-(2-hydroxyethyl)pyrazole
NSC-1632NSC-1141175-amino-1-(2-hydroxy-ethyl)-1h-pyrazole-4-carbonitrileNSC16324-Cyano-1-(2-hydroxyethyl)-1H-pyrazol-5-amineMRK6CUV57G5-amino-4-cyano-1-(2-hydroxyethyl)-1H-pyrazoleSCHEMBL174800
Database identifiers
- CAS
5346-53-2- PubChem CID
- 219852
- DTXSID
DTXSID20968153- UNII
- MRK6CUV57G
- EC Number
- 611-002-1
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 175
Physicochemical properties
- Melting point
- 158 · 158-160 °C
- Boiling point
- 424.9 · 424.9±40.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 14.26 · 14.26±0.10(Predicted)
- form
- Crystalline Solid
- color
- Off-white
- FDA UNII
- 6 CUV57G · MRK6CUV57G
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
- HazardClass
- IRRITANT
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
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 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 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Hazard statements
- H302-H312-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P304+P340-P305+P351+P338-P405-P501a
Related reactions
10 records
Compound notes
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