1,3-Dimethyl-4-piperidone
Properties
- Molecular formula
- C7H13NO
- Molar mass
- 127.19 g/mol
- Exact mass
- 127.0997 Da
- Boiling point
- 43–43.4 °C (at 5.5 Torr)
- logP
- 0.53Crippen estimate
- Polar surface area
- 20.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction50% of notifiers
- H318 Causes serious eye damage25% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4629-80-5SMILES
CC1CN(C)CCC1=OInChIKey
BGDGMIWDPMJYPP-UHFFFAOYSA-NInChI
InChI=1S/C7H13NO/c1-6-5-8(2)4-3-7(6)9/h6H,3-5H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 4-Piperidinone, 1,3-dimethyl-
- 4-Piperidone, 1,3-dimethyl-
- 1,3-Dimethyl-4-piperidinone
Work with 1,3-Dimethyl-4-piperidone
Similar compounds
3-Methyl-1-(2-phenylethyl)piperidin-4-one129164-39-246 % similar
tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate181269-69-246 % similar
1-Benzyl-3-methylpiperidin-4-one34737-89-846 % similar
1-Dimethylamino-2-methylpentan-3-one51690-03-045 % similar
3-Methyl-4-piperidone5773-58-044 % similar
2-Methylcyclopentanone1120-72-543 % similar
2-Methylcyclohexanone583-60-842 % similar
1-Methyl-4-piperidone1445-73-441 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.