Basic information
- CAS
1007464-61-0- Standard SMILES
Cc1nn(C)c(C)c1CC(C)C(=O)O- InChIKey
SYZXDAOTZRWAOH-UHFFFAOYSA-N- Molecular formula
- C10H16N2O2
- Average molar mass
- 196.25 g/mol
- Monoisotopic mass
- 196.12117776
Names & identifiers
- Preferred name
- 2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid
- IUPAC
- 2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acid
Names & synonyms
2-methyl-3-(trimethyl-1H-pyrazol-4-yl)propanoic acid1007464-61-0RefChem:475362978-373-22-methyl-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoic acid2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanoic acidHQB46461AKOS003673710AKOS017525957EN300-87977Z1259082450
Database identifiers
- CAS
1007464-61-0- PubChem CID
- 23005992
- EC Number
- 978-373-2
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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