Phenoxazin-5-ium, 3,7-bis(diethylamino)-, nitrate (1:1)

C₂₀H₂₆N₄O₄CAS 73570-52-2386.45 g/mol

Open in Covalent MOL file

Nitro Tertiary amine

Properties

Molecular formula: C₂₀H₂₆N₄O₄
Molar mass: 386.45 g/mol
Exact mass: 386.1954 Da
Melting point: 193–194 °C
logP: 4.72Crippen estimate
Polar surface area: 96.9 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed69.9% of notifiers
H318 Causes serious eye damage69.9% of notifiers
H400 Very toxic to aquatic life43% of notifiers
H410 Very toxic to aquatic life with long lasting effects43% of notifiers
H411 Toxic to aquatic life with long lasting effects26.9% of notifiers

Aggregated from 93 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P321, P330, P391, P405, P501

Identifiers

CAS number

73570-52-2

SMILES

CCN(CC)c1ccc2nc3ccc(N(CC)CC)cc3[o+]c2c1.O=[N+]([O-])[O-]

InChIKey

FINMBCOJZNNVJY-UHFFFAOYSA-N

InChI

InChI=1S/C20H26N3O.NO3/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1(3)4/h9-14H,5-8H2,1-4H3;/q+1;-1

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Names and synonyms

1 names

Phenoxazin-5-ium, 3,7-bis(diethylamino)-, nitrate

Work with Phenoxazin-5-ium, 3,7-bis(diethylamino)-, nitrate (1:1)

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

C.I. Mordant blue 141562-90-944 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-142 % similar Rhodamine B81-88-938 % similar Sulforhodamine B3520-42-137 % similar Nile red7385-67-335 % similar 7-Diethylaminocoumarin-3-carboxylic acid50995-74-934 % similar 4-(Diethylamino)-2-hydroxybenzaldehyde17754-90-434 % similar 4-(Diethylamino)-2-methylbenzaldehyde92-14-834 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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