1H-Pyrido[4,3-b]indole,2,3,4,5-tetrahydro-2-methyl-

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Names

[ CAS No. ]:
5094-12-2

[ Name ]:
1H-Pyrido[4,3-b]indole,2,3,4,5-tetrahydro-2-methyl-

[Synonym ]:
2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole

Chemical & Physical Properties

[ Density]:
1.165g/cm3

[ Boiling Point ]:
326.4ºC at 760 mmHg

[ Melting Point ]:
172 °C

[ Molecular Formula ]:
C12H14N2

[ Molecular Weight ]:
186.25300

[ Flash Point ]:
151.2ºC

[ Exact Mass ]:
186.11600

[ PSA ]:
19.03000

[ LogP ]:
2.09370

[ Index of Refraction ]:
1.66

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV0830000
CHEMICAL NAME :
1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-methyl-
CAS REGISTRY NUMBER :
5094-12-2
BEILSTEIN REFERENCE NO. :
0152265
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H14-N2
MOLECULAR WEIGHT :
186.28
WISWESSER LINE NOTATION :
T B656 DN HMT&&J D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
430 mg/kg
TOXIC EFFECTS :
Behavioral - analgesia
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 9,436,1966

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • N-Methyl-4-piperidone
  • Phenylhydrazine
  • Phenylhydrazine hydrochloride
  • 1-Methyl-4-piperidinol hydrochloride
  • 5-bromo-2-methyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole
  • 2-methyl-5H-pyrido[4,3-b]indol-2-ium trifluoromethanesulfonate
  • (3-chlorophenyl)-(1-methylpiperidin-4-ylidene)amine
  • 2-(PYRIDIN-3-YL)ANILINE
  • 1-methyl-3-(2-azidophenyl)pyridinium triflate
  • 3-(2-azidophenyl)pyridine

DownStream

  • Tubastatin A
  • 3-p-anisyl-4,6-diphenyl-2-oxo-1,3-diazabicyclo[2,2,0]hex-5-ene
  • 2-methoxy-1'-methylspiro[indole-3,3'-pyrrolidine]

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%