3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
Basic information
- CAS
1306602-94-7- Standard SMILES
Cn1cc(N2CCCC(N)C2=O)cn1- InChIKey
PHVAKYVNJQPQSD-UHFFFAOYSA-N- Molecular formula
- C9H14N4O
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.11676108
Names & identifiers
- Preferred name
- 3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
- IUPAC
- 3-amino-1-(1-methylpyrazol-4-yl)piperidin-2-one
Names & synonyms
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one1306602-94-7RefChem:496699838-804-63-amino-1-(1-methylpyrazol-4-yl)piperidin-2-oneGCC60294MFCD18839098AKOS013487525SY190784CS-0261270EN300-77960G25203
Show more names
3-Amino-1-(1-methyl-4-pyrazolyl)piperidin-2-one
Database identifiers
- CAS
1306602-94-7- PubChem CID
- 54593545
- EC Number
- 838-804-6
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+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%)
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Related reactions
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Compound notes
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