Basic information
- CAS
1193388-04-3- Standard SMILES
COc1ccc(-n2ccc(CN)n2)cc1.Cl- InChIKey
SUNXKMPXDBNVDQ-UHFFFAOYSA-N- Molecular formula
- C11H14ClN3O
- Average molar mass
- 239.7 g/mol
- Monoisotopic mass
- 239.0825398
Names & identifiers
- Preferred name
- [1-(4-methoxyphenyl)-1H-pyrazol-3-yl]methanamine hydrochloride
- IUPAC
- [1-(4-methoxyphenyl)pyrazol-3-yl]methanamine;hydrochloride
Names & synonyms
[1-(4-methoxyphenyl)-1H-pyrazol-3-yl]methanamine hydrochloride1193388-04-3(1-(4-Methoxyphenyl)-1h-pyrazol-3-yl)methanamine hydrochlorideRefChem:391770844-134-5[1-(4-methoxyphenyl)pyrazol-3-yl]methanamine;hydrochlorideMFCD12913100SY176078EN300-52363G57086Z763366254[1-(4-Methoxyphenyl)-3-pyrazolyl]methanamine Hydrochloride
Database identifiers
- CAS
1193388-04-3- PubChem CID
- 45792003
- EC Number
- 844-134-5
Properties
Computed structural properties
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 192
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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