Harmaline hydrochloride dihydrate

Base Information

• Chemical Name: Harmaline hydrochloride dihydrate
• CAS No.: 6027-98-1
• Molecular Formula: C13H14 N2 O . Cl H . 2 H2 O
• Molecular Weight: 250.728
• Hs Code.: 2933990090
• UNII: 5B4DGH2M9R
• Wikidata: Q27261769
• Pharos Ligand ID: PZTG1483H3BH
• ChEMBL ID: CHEMBL1494278
• Mol file: 6027-98-1.mol

Synonyms:Harmaline hydrochloride dihydrate;6027-98-1;UNII-5B4DGH2M9R;5B4DGH2M9R;CCRIS 7891;7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;dihydrate;hydrochloride;HARMALINE, HYDROCHLORIDE, DIHYDRATE;7-Methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole hydrochloride dihydrate;63885-08-5;3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-, monohydrochloride, dihydrate;3H-PYRIDO(3,4-B)INDOLE, 4,9-DIHYDRO-7-METHOXY-1-METHYL-, MONOHYDROCHLORIDE, DIHYDRATE;Prestwick_251;HARMALINEHYDROCHLORIDEDIHYDRATE;MFCD00150052;CHEMBL1494278;C13H14N2O.ClH.2H2O;HMS1569J22;NCGC00017054-01;AC-35026;C13-H14-N2-O.Cl-H.2H2-O;Harmaline hydrochloride dihydrate, >=95%;CAS-6027-98-1;FT-0635945;HARMALINE HYDROCHLORIDE DIHYDRATE [MI];Q27261769;3H-PYRIDO(3,4-B)INDOLE, 4,9-DIHYDRO-7-METHOXY-1-METHYL-, HYDROCHLORIDE, HYDRATE (1:1:2)

Chemical Property of Harmaline hydrochloride dihydrate

Chemical Property:

• Appearance/Colour: yellow to green crystalline powder
• Vapor Pressure: 1.77E-07mmHg at 25°C
• Melting Point: 232-240 °C
• Boiling Point: 426.4°C at 760 mmHg
• Flash Point: 211.7°C
• PSA: 55.84000
• LogP: 2.65060
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 286.1084202
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

98%,99%, ^*data from raw suppliers

Harmaline hydrochloride dihydrate ≥95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-24/25-36/37/39-27-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=NCCC2=C1NC3=C2C=CC(=C3)OC.O.O.Cl