3,4-Dihydroisoquinolin-1(2H)-one
Properties
- Molecular formula
- C9H9NO
- Molar mass
- 147.18 g/mol
- Exact mass
- 147.0684 Da
- Melting point
- 166 °C
- Boiling point
- 138–143 °C (at 0.3 Torr)
- logP
- 1.55Crippen estimate
- Polar surface area
- 32.6 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed75% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H335 May cause respiratory irritation50% of notifiers
- H412 Harmful to aquatic life with long lasting effects25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, 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
1196-38-9SMILES
OC1=NCCc2ccccc21InChIKey
YWPMKTWUFVOFPL-UHFFFAOYSA-NInChI
InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 1(2H)-Isoquinolinone, 3,4-dihydro-
- 3,4-Dihydro-1(2H)-isoquinolinone
- 3,4-Dihydro-1-isoquinolinone
- 3,4-Dihydroisocarbostyril
- 3,4-Dihydroisoquinol-1(2H)-one
- 3,4-Dihydro-2H-isoquinolin-1-one
- 3,4-Dihydroisoquinolinone
- 1,2,3,4-Tetrahydroisoquinolin-1-one
- Isocarbostyril, 3,4-dihydro-
Work with 3,4-Dihydroisoquinolin-1(2H)-one
Similar compounds
Isoindolinone480-91-166 % similar
1-Phenyl-3,4-dihydroisoquinoline52250-50-755 % similar
2,3-Dihydro-1H-inden-1-one oxime3349-60-844 % similar
4-Amino-2,3-dihydro-1H-isoindol-1-one366452-98-443 % similar
N-(2-Chloroethyl)benzamide26385-07-942 % similar
1-Tetralone oxime3349-64-242 % similar
8-Fluoro-1,3,4,5-tetrahydro-6H-pyrrolo(4,3,2-ef)(2)benzazepin-6-one1408282-26-741 % similar
Dibenzosuberone1210-35-141 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.