Basic information
- CAS
1354951-07-7- Standard SMILES
COc1ccc(Cn2nc(C)cc2N)cc1.Cl- InChIKey
WQNQCGONNLDEFG-UHFFFAOYSA-N- Molecular formula
- C12H16ClN3O
- Average molar mass
- 253.73 g/mol
- Monoisotopic mass
- 253.0981898
Names & identifiers
- Preferred name
- 2-((4-methoxyphenyl)methyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-imine hydrochloride
- IUPAC
- 2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine;hydrochloride
Names & synonyms
1355602-25-32-[(4-methoxyphenyl)methyl]-5-methyl-2,3-dihydro-1H-pyrazol-3-imine hydrochloride2-((4-methoxyphenyl)methyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-imine hydrochlorideRefChem:449272874-193-21354951-07-71-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrazol-5-amine hydrochloride1-(4-methoxybenzyl)-3-methyl-1H-pyrazol-5-amine hydrochlorideDTXSID801378159FEC60225AKOS008148396CS-0263075
Show more names
EN300-85086F94560Z12585784102-[(4-methoxyphenyl)methyl]-5-methyl-pyrazol-3-amine;hydrochloride2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine;hydrochloride1H-Pyrazol-5-amine, 1-[(4-methoxyphenyl)methyl]-3-methyl-, hydrochloride (1:1)2-[(4-methoxyphenyl)methyl]-5-methyl-2,3-dihydro-1H-pyrazol-3-iminehydrochloride
Database identifiers
- CAS
1354951-07-7、1355602-25-3- PubChem CID
- 54595076
- DTXSID
DTXSID801378159- EC Number
- 874-193-2
Properties
Computed structural properties
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 216
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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