5-Amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile
Basic information
- CAS
5346-61-2- Standard SMILES
Cc1nn(CCO)c(N)c1C#N- InChIKey
BLEZVCYUFBTTOD-UHFFFAOYSA-N- Molecular formula
- C7H10N4O
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.08546096
Names & identifiers
- Preferred name
- 5-Amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile
- IUPAC
- 5-amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrile
- English name
- 1H-Pyrazole-4-carbonitrile,5-amino-1-(2-hydroxyethyl)-3-methyl-
- Molecular formula
- C7H10N4O
- Molecular weight
- 166.1805
Names & synonyms
5346-61-25-Amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrileDTXSID60277317RefChem:300868DTXCID102284755-amino-1-(2-hydroxyethyl)-3-methylpyrazole-4-carbonitrileNSC-1653NSC1653KV7U756SUKSCHEMBL8552268BLEZVCYUFBTTOD-UHFFFAOYSA-NFAA34661
Show more names
1H-Pyrazole-4-carbonitrile,5-amino-1-(2-hydroxyethyl)-3-methyl-
AKOS017529498G40462EN300-11800791-.beta.-Hydroxyethyl-3-methyl-4-cyano-5-aminopyrazoleZ12626357111H-Pyrazole-4-carbonitrile, 5-amino-1-(2-hydroxyethyl)-3-methyl-5-AMINO-(2-HYDROXYETHYL)-3-METHYLPYRAZOLE-4-CARBONITRILE5-Amino-1-(2-hydroxyethyl)-3-methyl-1H-pyrazole-4-carbonitrile #
Database identifiers
- CAS
5346-61-2- PubChem CID
- 219873
- DTXSID
DTXSID60277317- UNII
- KV7U756SUK
- EC Number
- 982-014-5
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- form
- solid
- InChI
- 1S/C7H10N4O/c1-5-6(4-8)7(9)11(10-5)2-3-12/h12H,2-3,9H2,1H3
- InChIKey
- BLEZVCYUFBTTOD-UHFFFAOYSA-N
- FDA UNII
- 7 U756SUK · KV7U756SUK
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H410
- Precautionary statements
- 264 · P264-P273-P280-P337+P313-P391
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
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)
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H410
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P273-P280-P337+P313-P391
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…