Basic information
- CAS
1179060-17-3- Standard SMILES
Cc1cnn(C(C)(C)C)c1- InChIKey
OWVRXDVWWRDOEN-UHFFFAOYSA-N- Molecular formula
- C8H14N2
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.11569846
Names & identifiers
- Preferred name
- 1-tert-butyl-4-methyl-1H-pyrazole
- IUPAC
- 1-tert-butyl-4-methylpyrazole
- English name
- 1-tert-butyl-4-methyl-1H-pyrazole
- Molecular formula
- C8H14N2
- Molecular weight
- 138.21
Names & synonyms
1-tert-butyl-4-methyl-1H-pyrazole1179060-17-31-(TERT-BUTYL)-4-METHYL-1H-PYRAZOLESCHEMBL3224996SCHEMBL3225011MFCD12800597AKOS0100924851-tert-butyl-4-methyl-1H-pyrazole--hydrogen chloride (1/1)1H-Pyrazole, 1-(1,1-dimethylethyl)-4-methyl-
Database identifiers
- CAS
1179060-17-3- PubChem CID
- 19757106
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 115
Physicochemical properties
- Boiling point
- 192 · 192.0±9.0 °C(Predicted)
- Density
- 0.92 · 0.92±0.1 g/cm3(Predicted)
- pka
- 2.86 · 2.86±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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