5102-11-4

5102-11-4 structure

5102-11-4 structure

Name: N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine
Chemical Name: N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine
CAS Number: 5102-11-4
Molecular Formula: C₁₃H₁₈N₂S
Molecular Weight: 234.36000
Create Date: 2016-04-02 02:36:48
Modify Date: 2024-03-04 21:54:07

Name	N,N-dimethyl-2-(5-methylsulfanyl-1H-indol-3-yl)ethanamine
Synonyms	3-<Dimethylamino-ethyl>-5-methylmercapto-indol N,N-Dimethyl-5-methylthiotryptamine 5-Methylthiodimethyltryptamine

Density	1.13g/cm3
Boiling Point	400.3ºC at 760 mmHg
Molecular Formula	C₁₃H₁₈N₂S
Molecular Weight	234.36000
Flash Point	195.9ºC
Exact Mass	234.11900
PSA	44.33000
LogP	2.99390
Index of Refraction	1.629

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NL7445000

CHEMICAL NAME :: Indole, 3-(2-(dimethylamino)ethyl)-5-methylthio-

CAS REGISTRY NUMBER :: 5102-11-4

BEILSTEIN REFERENCE NO. :: 0395065

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H18-N2-S

MOLECULAR WEIGHT :: 234.39

WISWESSER LINE NOTATION :: T56 BMJ D2N1&1 GS1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#12318

HS Code	2933990090

50-00-0 structure

50-00-0

101573-24-4 structure

101573-24-4

~%

5102-11-4 structure

5102-11-4

Literature: Nirogi, Ramakrishna V.S.; Kambhampati, Ramasastri; Kothmirkar, Prabhakar; Konda, Jagadishbabu; Bandyala, Thrinath Reddy; Gudla, Parandhama; Arepalli, Sobhanadri; Gangadasari, Narasimhareddy P.; Shinde, Anil K.; Deshpande, Amol D.; Dwarampudi, Adireddy; Chindhe, Anil K.; Dubey, Pramod Kumar Journal of Enzyme Inhibition and Medicinal Chemistry, 2012 , vol. 27, # 3 p. 443 - 450

Precursor 2
50-00-0 101573-24-4
DownStream 0

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%