Basic information
- CAS
676533-31-6- Standard SMILES
Cc1ccc(C(=O)NCCC(C)C)cn1- InChIKey
WBRKEEKIJPVBRB-UHFFFAOYSA-N- Molecular formula
- C12H18N2O
- Average molar mass
- 206.28 g/mol
- Monoisotopic mass
- 206.1419132
Names & identifiers
- Preferred name
- 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
- IUPAC
- 6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
Names & synonyms
6-methyl-N-(3-methylbutyl)pyridine-3-carboxamide676533-31-6RefChem:543964959-524-1N-Isopentyl-6-methylnicotinamideSCHEMBL5434689
Database identifiers
- CAS
676533-31-6- PubChem CID
- 10104445
- EC Number
- 959-524-1
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 204
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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