2-(4-Methylpiperazino)benzaldehyde

C₁₂H₁₆N₂OCAS 85803-62-9204.27 g/mol

Open in Covalent MOL file

Aldehyde Tertiary amine

Properties

Molecular formula: C₁₂H₁₆N₂O
Molar mass: 204.27 g/mol
Exact mass: 204.1263 Da
logP: 1.25Crippen estimate
Polar surface area: 23.6 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

85803-62-9

SMILES

CN1CCN(CC1)C2=CC=CC=C2C=O

InChIKey

GSRYZPWIWYYROI-UHFFFAOYSA-N

InChI

InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-5-3-2-4-11(12)10-15/h2-5,10H,6-9H2,1H3

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Names and synonyms

1 names

2-(4-Methylpiperazin-1-yl)benzaldehyde

Work with 2-(4-Methylpiperazino)benzaldehyde

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

2-(Piperidin-1-yl)benzaldehyde34595-26-167 % similar 2-Morpholinobenzaldehyde58028-76-563 % similar 2-Piperazin-1-yl-benzaldehyde736991-52-963 % similar 2-(4-Benzylpiperazin-1-yl)benzaldehyde112253-26-661 % similar 2-(4-Methylpiperazin-1-yl)aniline180605-36-153 % similar (2-(4-Methylpiperazin-1-yl)phenyl)methanol123987-12-250 % similar Phthalaldehyde643-79-843 % similar 2-Methylbenzaldehyde529-20-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Methoxy-α-methyltryptamine1137-04-8 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-1 3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propanenitrile119-95-9 5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine16620-52-3 4-(4-Methyl-1-piperazinyl)benzaldehyde27913-99-1 N-4-Piperidylbenzamide33953-37-6 1-Acetyl-6-amino-3,3-dimethylindoline453562-71-5 (-)-N-Methylcytisine486-86-2

Elsewhere

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