Dimezone S

C₁₁H₁₄N₂O₂CAS 13047-13-7206.25 g/mol

Open in Covalent MOL file

Alcohol Hydrazone Tertiary amine

Properties

Molecular formula: C₁₁H₁₄N₂O₂
Molar mass: 206.25 g/mol
Exact mass: 206.1055 Da
Melting point: 121.8–123.3 °C
logP: 1.38Crippen estimate
Polar surface area: 56.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation80.7% of notifiers
H317 May cause an allergic skin reaction14% of notifiers
H319 Causes serious eye irritation84.2% of notifiers
H335 May cause respiratory irritation78.9% of notifiers
H411 Toxic to aquatic life with long lasting effects12.3% of notifiers

Aggregated from 57 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

13047-13-7

SMILES

CC1(CO)CN(c2ccccc2)N=C1O

InChIKey

DSVIHYOAKPVFEH-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O2/c1-11(8-14)7-13(12-10(11)15)9-5-3-2-4-6-9/h2-6,14H,7-8H2,1H3,(H,12,15)

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Names and synonyms

8 names

3-Pyrazolidinone, 4-(hydroxymethyl)-4-methyl-1-phenyl-
4-(Hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidinone
1-Phenyl-4-methyl-4-(hydroxymethyl)-3-pyrazolidinone
1-Phenyl-4-(hydroxymethyl)-4-methyl-3-pyrazolidone
4-(Hydroxymethyl)-4-methyl-1-phenyl-3-pyrazolidone
1-Phenyl-4-methyl-4-(hydroxymethyl)-3-pyrazolidone
Phenidone S
4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one

Work with Dimezone S

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Phenyl-4,4-dimethyl-3-pyrazolidone2654-58-264 % similar Phenidone92-43-340 % similar 4-Methyl-1-phenylpyrazolidin-3-one2654-57-139 % similar Dimethylolpropionic acid4767-03-735 % similar 1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one1021-25-633 % similar 1-Propanol,2-methyl-2-[(phenylmethylene)amino]-22563-90-233 % similar Phenobarbital50-06-632 % similar Akardite II13114-72-232 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Phenylmethyl 3-amino-1-azetidinecarboxylate112257-20-2 1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-9 (4-Aminophenyl)(morpholino)methanone51207-86-4 1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline57883-28-0 1-(4-Nitrophenyl)piperidine6574-15-8 Phenylethylmalonamide7206-76-0 N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide86847-64-5 3-(Cbz-amino)-azetidine914348-04-2

Elsewhere

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