4-(Aminomethyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-
Basic information
- CAS
1609406-66-7- Standard SMILES
CC1=NNC(=O)C1CN.Cl- InChIKey
WJQPKLGHGVPOPU-UHFFFAOYSA-N- Molecular formula
- C5H10ClN3O
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.0512396
Names & identifiers
- Preferred name
- 4-(Aminomethyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-
- IUPAC
- 4-(aminomethyl)-3-methyl-1,4-dihydropyrazol-5-one;hydrochloride
- English name
- 4-(aminomethyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one dihydrochloride
- Molecular formula
- C5H10ClN3O
- Molecular weight
- 163.61
Names & synonyms
4-(aminomethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one hydrochloride4-(Aminomethyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-SCHEMBL16402726WJQPKLGHGVPOPU-UHFFFAOYSA-N4-(aminomethyl)-3-methyl-1H-pyrazol-5(4H)-one hydrochloride4-(aminomethyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one dihydrochloride
Database identifiers
- CAS
1609406-66-7- PubChem CID
- 53398950
Properties
Computed structural properties
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- form
- solid
- SMILES
- O=C1NN=C(C)C1CN.Cl.Cl
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 305 · P305+P351+P338
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye 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.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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