CAS 933-67-5 | 7-Methyl-1H-indole | CAS Number 933-67-5

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933-67-5 | 7-Methyl-1H-indole

CAS No: 933-67-5 Catalog No: AG0063QU MDL No:MFCD00005684

Product Description

Catalog Number:

AG0063QU

Chemical Name:

7-Methyl-1H-indole

CAS Number:

933-67-5

Molecular Formula:

C9H9N

Molecular Weight:

131.1745

MDL Number:

MFCD00005684

IUPAC Name:

7-methyl-1H-indole

InChI:

InChI=1S/C9H9N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-6,10H,1H3

InChI Key:

KGWPHCDTOLQQEP-UHFFFAOYSA-N

SMILES:

Cc1cccc2c1[nH]cc2

EC Number:

213-270-1

UNII:

7Z1E6HIT9S

NSC Number:

618

Properties

Complexity:

122

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

131.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

131.178g/mol

Monoisotopic Mass:

131.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

15.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.	Journal of medicinal chemistry 20110113
An odorant receptor from the southern house mosquito Culex pipiens quinquefasciatus sensitive to oviposition attractants.	PloS one 20100101
Isothiocyanate NB7M causes selective cytotoxicity, pro-apoptotic signalling and cell-cycle regression in ovarian cancer cells.	British journal of cancer 20081202
A novel indole ethyl isothiocyanate (7Me-IEITC) with anti-proliferative and pro-apoptotic effects on platinum-resistant human ovarian cancer cells.	Gynecologic oncology 20080501
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601
Rapid detection and characterization of minor reactive metabolites using stable-isotope trapping in combination with tandem mass spectrometry.	Rapid communications in mass spectrometry : RCM 20050101
Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis.	Journal of medicinal chemistry 20040603