CAS 491-34-9 | 1-Methyl-1,2,3,4-tetrahydroquinoline | CAS Number 491-34-9

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491-34-9 | 1-Methyl-1,2,3,4-tetrahydroquinoline

CAS No: 491-34-9 Catalog No: AG00I8TY MDL No:MFCD00130001

Product Description

Catalog Number:

AG00I8TY

Chemical Name:

1-Methyl-1,2,3,4-tetrahydroquinoline

CAS Number:

491-34-9

Molecular Formula:

C10H13N

Molecular Weight:

147.2169

MDL Number:

MFCD00130001

IUPAC Name:

1-methyl-3,4-dihydro-2H-quinoline

InChI:

InChI=1S/C10H13N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7H,4,6,8H2,1H3

InChI Key:

YVBSECQAHGIWNF-UHFFFAOYSA-N

SMILES:

CN1CCCc2c1cccc2

EC Number:

207-733-7

Properties

Complexity:

133

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

147.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

147.221g/mol

Monoisotopic Mass:

147.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

3.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Photobehavior of mixed nπ/ππ triplets: simultaneous detection of the two transients, solvent-dependent hydrogen abstraction, and reequilibration upon protein binding.	The journal of physical chemistry. B 20110915
Metabolic aromatization of N-alkyl-1,2,3,4-tetrahydroquinoline substructures to quinolinium by human liver microsomes and horseradish peroxidase.	Drug metabolism and disposition: the biological fate of chemicals 20061201