Neutral red iodide

C₁₅H₁₇IN₄CAS 34038-87-4380.23 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₅H₁₇IN₄
Molar mass: 380.23 g/mol
Exact mass: 380.0498 Da
logP: 3.36Crippen estimate
Polar surface area: 55.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

34038-87-4

SMILES

CC1=CC2=NC3=C(C=C(C=C3)N(C)C)N=C2C=C1N.I

InChIKey

OUUBVQCTWMYSNF-UHFFFAOYSA-N

InChI

InChI=1S/C15H16N4.HI/c1-9-6-13-15(8-11(9)16)18-14-7-10(19(2)3)4-5-12(14)17-13;/h4-8H,16H2,1-3H3;1H

Weigh it out

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

Work with Neutral red iodide

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Neutral red553-24-2Salt

Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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