486-84-0

Name HARMANE
CAS 486-84-0
EINECS(EC#) 207-642-2
Molecular Formula C12H10N2
MDL Number MFCD00004957
Molecular Weight 182.22
MOL File 486-84-0.mol
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Chemical Properties

Appearance Off-White Solid
Melting point  235-238 °C(lit.)
Boiling point  305.62°C (rough estimate)
density  1.1485 (rough estimate)
refractive index  1.6266 (estimate)
storage temp.  Store at RT
solubility  methanol: soluble50mg/ml
form  Solid
pka 7.37, 14.6(at 25℃)
color  White to Dark Brown
Water Solubility  1523g/L(20 ºC)
Usage Harman alkaloid like harmane, harmine, harmalol, harmaline obtained from Banisteriopsis caapi L. showed cytotoxicity, antimicrobial activity against Staphylococcus aureus, Escherichia coli, Proteus vulgaris and Candida albicans.
Merck  13,4630
BRN  143898
InChI InChI=1S/C12H10N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-7,14H,1H3
InChIKey PSFDQSOCUJVVGF-UHFFFAOYSA-N
SMILES N1C2=C(C=CC=C2)C2C=CN=C(C)C1=2
LogP 3.100
CAS DataBase Reference 486-84-0(CAS DataBase Reference)
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Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R20/21:Harmful by inhalation and in contact with skin .
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
RIDADR  1544
WGK Germany  3
RTECS  UV0280000
HazardClass  1.049 g/mL at 25 °C(lit.)
PackingGroup  117-118 °C(lit.)
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Skin Irrit. 2
Toxicity
LD50 i.p. in mice: 50 mg/kg (Sigg)

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