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304-21-2

304-21-2 Structure

304-21-2 Structure
IdentificationMore
[Name]

HARMALINE
[CAS]

304-21-2
[Synonyms]

1-METHYL-7-METHOXY-3,4-DIHYDRO-BETA-CARBOLINE
3,4-DIHYDRO-7-METHOXY-1-METHYL-9H-PYRIDO[3,4-B]-INDOLE
3,4-DIHYDRO-7-METHOXY-1-METHYL-BETA-CARBOLINE
3,4-DIHYDROHARMIN
3,4-DIHYDROHARMINE
4,9-DIHYDRO-7-METHOXY-1-METHYL-3H-PYRIDO[3,4-B]INDOLE
DIHYDROHARMINE
HARMALINE
HARMALOL METHYL ETHER
TIMTEC-BB SBB003407
3,4-Dihydro-7-methoxy-1-methyl-9-pyrid(3,4-b)indole
3,4-dihydro-7-methoxy-1-methyl-9-pyrido(3,4-b)indole
3H-Pyrido[3,4-b]indole, 4,9-dihydro-7-methoxy-1-methyl-
4-b)indole,4,9-dihydro-7-methoxy-1-methyl-3h-pyrido(
7-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline
Armalin
dihydro-harmin
Harmidine
Harmine, dihydro-
O-Methylharmalol
[EINECS(EC#)]

206-152-6
[Molecular Formula]

C13H14N2O
[MDL Number]

MFCD00004955
[Molecular Weight]

214.26
[MOL File]

304-21-2.mol
Chemical PropertiesBack Directory
[Melting point ]

232-234 °C(lit.)
[alpha ]

±0°
[Boiling point ]

354.4°C (rough estimate)
[density ]

1.0850 (rough estimate)
[refractive index ]

1.6450 (estimate)
[storage temp. ]

-10 to -25°C
[solubility ]

DMF: 1.4 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml; DMSO: 0.25 mg/ml; Ethanol: 0.5 mg/ml
[Water Solubility ]

Slightly soluble in water
[form ]

powder
[pka]

4.2(at 25℃)
[color ]

Light orange to Yellow to Green
[Merck ]

4613
[BRN ]

207310
[InChI]

1S/C13H14N2O/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
[InChIKey]

RERZNCLIYCABFS-UHFFFAOYSA-N
[SMILES]

COc1ccc2c3CCN=C(C)c3[nH]c2c1
[LogP]

2.251 (est)
[CAS DataBase Reference]

304-21-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Harmaline(304-21-2)
[EPA Substance Registry System]

304-21-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R25:Toxic if swallowed.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
[RIDADR ]

1544
[WGK Germany ]

3
[RTECS ]

UU9800000
[HS Code ]

2939.80.0000
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1
[Hazardous Substances Data]

304-21-2(Hazardous Substances Data)
Hazard InformationBack Directory
[Uses]

CNS stimulant, antiparkinsonian agent
[Definition]

ChEBI: A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond.
[Synthesis Reference(s)]

Canadian Journal of Chemistry, 37, p. 1851, 1959 DOI: 10.1139/v59-272
[Biological Activity]

CNS stimulant; may act through NMDA receptors
[Purification Methods]

Recrystallise harmaline from MeOH and sublime it at high vacuum. It has UV in MeOH a
Spectrum DetailBack Directory
[Spectrum Detail]

HARMALINE(304-21-2)MS
HARMALINE(304-21-2)1HNMR
HARMALINE(304-21-2)IR1
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

304-21-2(sigmaaldrich)
[TCI AMERICA]

Harmaline,>98.0%(LC)(T)(304-21-2)
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