Harmaline hydrochloride dihydrate
Properties
- Molecular formula
- C13H19ClN2O3
- Molar mass
- 286.76 g/mol
- Exact mass
- 286.1084 Da
- logP
- 1.31Crippen estimate
- Polar surface area
- 100.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H371 May cause damage to organs100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P301+P317, P308+P316, P330, P405, P501
Identifiers
CAS number
6027-98-1SMILES
COc1ccc2c3c([nH]c2c1)C(C)=NCC3.Cl.O.OInChIKey
LCEKUHFBUFUSSY-UHFFFAOYSA-NInChI
InChI=1S/C13H14N2O.ClH.2H2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;;;/h3-4,7,15H,5-6H2,1-2H3;1H;2*1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 3H-Pyrido[3,4-B]indole, 4,9-dihydro-7-methoxy-1-methyl-, hydrochloride, hydrate (1:1:2)
- 3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-, monohydrochloride, dihydrate
Work with Harmaline hydrochloride dihydrate
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.
Similar compounds
6-Methoxyharmalan3589-73-973 % similar
Melatonin73-31-439 % similar
2-Methoxy-9H-carbazole6933-49-938 % similar
Harmine hydrochloride343-27-138 % similar
Mexamine66-83-138 % similar
6-Methoxytryptamine3610-36-437 % similar
Agomelatine138112-76-234 % similar
Quinacrine dihydrochloride dihydrate6151-30-034 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds