1,2,3,4-Tetrahydrocarbazole - CAS 942-01-8

Catalog:	BB041220
Product Name:	1,2,3,4-Tetrahydrocarbazole
CAS:	942-01-8
Synonyms:	2,3,4,9-tetrahydro-1H-carbazole; 2,3,4,9-tetrahydro-1H-carbazole

Technical Data

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Computed Properties

IUPAC Name:	2,3,4,9-tetrahydro-1H-carbazole
Description:	1,2,3,4-Tetrahydrocarbazole (CAS# 942-01-8) is a useful research chemical.
Molecular Weight:	171.24
Molecular Formula:	C12H13N
Canonical SMILES:	C1CCC2=C(C1)C3=CC=CC=C3N2
InChI:	InChI=1S/C12H13N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1,3,5,7,13H,2,4,6,8H2
InChI Key:	XKLNOVWDVMWTOB-UHFFFAOYSA-N
Boiling Point:	325-330 °C / 760 mmHg
Density:	1.151 g/cm³
Appearance:	White or cream crystalline powder
Storage:	Sealed in dry. Room temperature.
MDL:	MFCD00004959
LogP:	3.04670

Publication Number	Title	Priority Date
CN-113045557-A	Production process of flumioxazin herbicide	20210308
CN-112159357-A	Refining method of caprolactam	20201015
CN-112142637-A	Method and system for refining caprolactam	20200922
CN-112079759-A	Caprolactam production device and production method	20200902
CN-112079760-A	Method and system for refining caprolactam	20200902

PMID	Publication Date	Title	Journal
27583770	20161013	Discovery of 6-Fluoro-5-(R)-(3-(S)-(8-fluoro-1-methyl-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-2-methylphenyl)-2-(S)-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide (BMS-986142): A Reversible Inhibitor of Bruton's Tyrosine Kinase (BTK) Conformationally Constrained by Two Locked Atropisomers	Journal of medicinal chemistry
23036955	20121115	N,N-Dimethyl-[9-(arylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amines as novel, potent and selective 5-HT₆ receptor antagonists	Bioorganic & medicinal chemistry letters
22223488	20120213	Enantioselective synthesis of spiro cyclopentane-1,3'-indoles and 2,3,4,9-tetrahydro-1H-carbazoles by iridium-catalyzed allylic dearomatization and stereospecific migration	Angewandte Chemie (International ed. in English)
21906853	20111101	Synthesis of 9-substituted 2,3,4,9-tetrahydro-1H-carbazole derivatives and evaluation of their anti-prion activity in TSE-infected cells	European journal of medicinal chemistry
21399834	20110421	Ring-opening reactions of 2-aryl-3,4-dihydropyrans with nucleophiles	Chemical communications (Cambridge, England)

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.104799419
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	171.104799419
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3