Rivanol monohydrate

C₁₈H₂₃N₃O₅CAS 6402-23-9361.40 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₁₈H₂₃N₃O₅
Molar mass: 361.40 g/mol
Exact mass: 361.1638 Da
logP: 1.41Crippen estimate
Polar surface area: 163.9 Å²
H-bond donors / acceptors: 5 / 5
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation93.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

6402-23-9

SMILES

CC(O)C(=O)O.CCOc1ccc2[nH]c3cc(N)ccc3c(=N)c2c1.O

InChIKey

NYEPHMYJRNWPLA-UHFFFAOYSA-N

InChI

InChI=1S/C15H15N3O.C3H6O3.H2O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6;/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);1H2

Weigh it out

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

Names and synonyms

5 names

Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine, hydrate (1:1:1)
Lactic acid, compd. with 6,9-diamino-2-ethoxyacridine (1:1), monohydrate
Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine (1:1), monohydrate
Acridine, 6,9-diamino-2-ethoxy-, lactate, hydrate
3,9-Acridinediamine, 7-ethoxy-, mono(2-hydroxypropanoate), monohydrate

Work with Rivanol monohydrate

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.

Ethacridine lactate1837-57-6Anhydrous Lactic acid50-21-5Free acid Polylactic acid26100-51-6Free acid Lactic acid598-82-3Free acid L-Lactic acid79-33-4Free acid, defined stereoisomer D-Lactic acid10326-41-7Free acid, defined stereoisomer Poly[(+)-lactic acid]106989-11-1Free acid, defined stereoisomer Sodium lactate72-17-3Salt Calcium lactate814-80-2Salt Aluminium lactate18917-91-4Salt Potassium lactate996-31-6Salt Silver lactate128-00-7Salt

Similar compounds

5-(Phenylmethoxy)tryptophan6383-70-633 % similar 2-Amino-6-ethoxybenzothiazole94-45-132 % similar Carprofen53716-49-732 % similar 3-Ethoxybenzenamine621-33-032 % similar P-Phenetidine156-43-432 % similar 5-Ethoxy-1H-indole-3-carbaldehyde169789-47-331 % similar 5-Methoxy-DL-tryptophan28052-84-831 % similar 5-Ethoxy-1H-indole10501-17-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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