New fuchsine

C₂₂H₂₄ClN₃CAS 3248-91-7365.90 g/mol

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Alkene Imine Primary amine

Properties

Molecular formula: C₂₂H₂₄ClN₃
Molar mass: 365.90 g/mol
Exact mass: 365.1659 Da
logP: 5.23Crippen estimate
Polar surface area: 75.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2

Hazards

Danger

H315 Causes skin irritation45.5% of notifiers
H318 Causes serious eye damage56.9% of notifiers
H319 Causes serious eye irritation39.8% of notifiers
H335 May cause respiratory irritation44.7% of notifiers
H350 May cause cancer12.2% of notifiers
H351 Suspected of causing cancer36.6% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure31.7% of notifiers
H400 Very toxic to aquatic life33.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects44.7% of notifiers

Aggregated from 123 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3248-91-7

SMILES

CC1=CC(=C(c2ccc(N)c(C)c2)c2ccc(N)c(C)c2)C=CC1=N.Cl

InChIKey

IPSIPYMEZZPCPY-UHFFFAOYSA-N

InChI

InChI=1S/C22H23N3.ClH/c1-13-10-16(4-7-19(13)23)22(17-5-8-20(24)14(2)11-17)18-6-9-21(25)15(3)12-18;/h4-12,23H,24-25H2,1-3H3;1H

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Names and synonyms

19 names · show all

Benzenamine, 4,4′-[(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methylene]bis[2-methyl-, hydrochloride (1:1)
C.I. Basic Violet 2, monohydrochloride
Benzenamine, 4-[(4-amino-3-methylphenyl)(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methyl]-2-methyl-, monohydrochloride
C.I. Basic violet 2
New fuchsin
Benzenamine, 4,4′-[(4-imino-3-methyl-2,5-cyclohexadien-1-ylidene)methylene]bis[2-methyl-, monohydrochloride
Calcozine new fuchsine
Magenta ABN
Magenta III
New fuchsine G crystal
New magenta
Neofuchsine
Astrazon fuchsine GN
Remacryl magenta B
Fuchsin NB
Astra new fuchsine G
Basic violet 2
Leather ruby HF
C.I. 42520

Work with New fuchsine

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

Fuchsine632-99-561 % similar 4-Chloro-2-methylaniline hydrochloride3165-93-341 % similar 3,3′-Dimethylbenzidine dihydrochloride612-82-840 % similar Acid fuchsin3244-88-039 % similar 2,4-Dimethylaniline hydrochloride21436-96-439 % similar 2-Methylbenzene-1,4-diamine dihydrochloride615-45-239 % similar 4-Amino-3-methylbenzoic acid2486-70-638 % similar Pararosaniline569-61-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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