1,3,3-Trimethyl-2-methyleneindoline

C₁₂H₁₅NCAS 118-12-7173.26 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₁₂H₁₅N
Molar mass: 173.26 g/mol
Exact mass: 173.1204 Da
Boiling point: 80 °C (at 0.01 Torr)
logP: 2.93Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97% of notifiers
H315 Causes skin irritation98.2% of notifiers
H400 Very toxic to aquatic life90.9% of notifiers
H410 Very toxic to aquatic life with long lasting effects72.1% of notifiers

Aggregated from 165 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, P501

Identifiers

CAS number

118-12-7

SMILES

C=C1N(C)c2ccccc2C1(C)C

InChIKey

ZTUKGBOUHWYFGC-UHFFFAOYSA-N

InChI

InChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all

1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-
Indoline, 1,3,3-trimethyl-2-methylene-
2,3-Dihydro-1,3,3-trimethyl-2-methylene-1H-indole
Fischer base
Fischer's base
1,3,3-Trimethyl-2-methylene-2,3-dihydroindole
2-Methylene-1,3,3-trimethylindoline
1,2-Dihydro-1,3,3-trimethyl-2-methyleneindole
2,3-Dihydro-1,3,3-trimethyl-2-methyleneindole
1,3-Dihydro-1,3,3-trimethyl-2-methyleneindoline
Fischer's methylene base
NSC 66176
1,3,3-Trimethyl-2-methylene indolenine
1,3,3-Trimethyl-2-methylidene-2,3-dihydro-1H-indole
1,3,3-Trimethyl-2-methylideneindole

Work with 1,3,3-Trimethyl-2-methyleneindoline

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

5-Chloro-2-methylene-1,3,3-trimethylindoline6872-17-961 % similar 2-(Formylmethylene)-1,3,3-trimethylindoline84-83-358 % similar Basic red 126320-14-542 % similar 2,3,3-Trimethylindolenine1640-39-734 % similar Basic yellow 2854060-92-334 % similar 1-Methylisatin2058-74-432 % similar 1-Methyl-1,3-dihydroindol-2-one61-70-132 % similar 5,10-Dihydro-5,10-dimethylphenazine15546-75-531 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2,4-Trimethyl-1,2-dihydroquinoline147-47-7 2-(1,1-Dimethylethyl)-1H-indole1805-65-8 2,3,3,5-Tetramethyl-3H-indole25981-82-2 2,2,4-Trimethyl-1,2-dihydroquinoline polymer26780-96-1 (4-tert-Butylphenyl)acetonitrile3288-99-1 1-Benzyl-1,2,3,6-tetrahydropyridine40240-12-8 4'-Diethylaminophenyl acetylene41876-70-4 Julolidine479-59-4

Elsewhere

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