1-Methylhexahydro-4-azepinone hydrochloride
Properties
- Molecular formula
- C7H14ClNO
- Molar mass
- 163.65 g/mol
- Exact mass
- 163.0764 Da
- Melting point
- 166.5–167 °C
- logP
- 1.09Crippen estimate
- Polar surface area
- 20.3 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed83.3% of notifiers
- H315 Causes skin irritation33.3% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
19869-42-2SMILES
CN1CCCC(=O)CC1.ClInChIKey
BHSJZGRGJYULPA-UHFFFAOYSA-NInChI
InChI=1S/C7H13NO.ClH/c1-8-5-2-3-7(9)4-6-8;/h2-6H2,1H3;1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 4H-Azepin-4-one, hexahydro-1-methyl-, hydrochloride (1:1)
- 4H-Azepin-4-one, hexahydro-1-methyl-, hydrochloride
- 1-Methylhexahydroazepin-4-one hydrochloride
- 1-Methylazepan-4-one hydrochloride
- N-Methylazepan-4-one hydrochloride
- 1-Methyl-1,2,3,5,6,7-hexahydroazepin-4-one hydrochloride
Work with 1-Methylhexahydro-4-azepinone hydrochloride
Similar compounds
1-Methyl-4-piperidone1445-73-471 % similar
1-Methylpyrrolidin-3-one68165-06-054 % similar
3-(N-Methylpentylamino)propionic acid hydrochloride625120-81-249 % similar
4-Methyl-1-piperazinecarbonyl chloride hydrochloride55112-42-045 % similar
1-(Isopropyl)-4-piperidone5355-68-042 % similar
1-Methylpiperazine dihydrochloride34352-59-541 % similar
Azepan-4-one hydrochloride50492-22-341 % similar
Cyclobutanone1191-95-340 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.