Propidium iodide

C₂₇H₃₄I₂N₄CAS 25535-16-4668.41 g/mol

Open in Covalent MOL file

Primary amine Quaternary ammonium

Properties

Molecular formula: C₂₇H₃₄I₂N₄
Molar mass: 668.41 g/mol
Exact mass: 668.0873 Da
logP: 2.97Crippen estimate
Polar surface area: 54.8 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 7

Hazards

Warning

H315 Causes skin irritation98.8% of notifiers
H319 Causes serious eye irritation98.8% of notifiers
H335 May cause respiratory irritation98.8% of notifiers
H341 Suspected of causing genetic defects26.1% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

25535-16-4

SMILES

CC[N+](C)(CC)CCCn1c2cc(=N)ccc-2c2ccc(N)cc2c1-c1ccccc1.I.[I-]

InChIKey

XJMOSONTPMZWPB-UHFFFAOYSA-M

InChI

InChI=1S/C27H33N4.2HI/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20;;/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3;2*1H/q+1;;/p-1

Weigh it out

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

Names and synonyms

6 names

Phenanthridinium, 3,8-diamino-5-[3-(diethylmethylammonio)propyl]-6-phenyl-, iodide (1:2)
Phenanthridinium, 3,8-diamino-5-[3-(diethylmethylammonio)propyl]-6-phenyl-, diiodide
3,8-Diamino-5-(3-diethylaminopropyl)-6-phenylphenanthridinium iodide methiodide
Ammonium, [3-(3,8-diamino-6-phenyl-5-phenanthridinio)propyl]diethylmethyl-, diiodide
Propidium diiodide
3,8-Diamino-5-(diethylmethylaminopropyl)-6-phenylphenanthridinium diiodide

Work with Propidium 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

Similar compounds

Ethidium bromide1239-45-859 % similar 3,8-Diamino-5-methyl-6-phenylphenanthridinium bromide518-67-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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