3-Methylquinoline

CAT: 0127-OR911987-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR911987-01Size:1 g

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CAS Number

612-58-8

MDL Number

MFCD00014661

Purity

97%

Smiles

Cc1cnc2ccccc2c1

Chemical Information

3-Methylquinoline

3-methylquinoline is a methylquinoline. It has a role as a xenobiotic.

CAS Number	612-58-8
PubChem CID	11926
IUPAC Name	3-methylquinoline
Molecular Formula	C10H9N
Molecular Weight	143.18
XLogP	2.5
Topological Polar Surface Area	12.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	133

SMILES

CC1=CC2=CC=CC=C2N=C1

InChI

InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3

InChIKey

DTBDAFLSBDGPEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 612-58-8

CID: 11926

Formula: C10H9N

MW: 143.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	143.18
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	143.073499291
Monoisotopic Mass	143.073499291
Topological Polar Surface Area	12.9 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	133
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1007018-01	3-Bromo-7-methylquinoline
OR81791-01	3-Chloro-2-methylquinoline
OR1056347-01	3-Bromo-4-methylquinoline
OR76992-01	3-Iodo-6-methylquinoline
OR88031-01	3-Bromo-2-methylquinoline
OR95022-01	3-Bromo-8-methylquinoline
OR309366-01	3-Amino-2-methylquinoline dihydrochloride
OR309231-01	7-Methylquinoline-3-carboxylic acid
OR301188-01	2-Methylquinoline-3-carboxylic acid
OR309363	3-Amino-7-methylquinoline Dihydrochloride

Catalog	Name
HY-W015697-01	3-Methylquinoline
KBA74086-01	2-Bromo-3-methylquinoline
NCA13660	4-Chloro-3-methylquinoline
439936-01	8-Acetoxy-3-methylquinoline
RG-C081551-01	2-Chloro-3-Methylquinoline
TRC-M323365-2.5G	8-Methoxy-3-methylquinoline
ZGC24596-01	3-Iodo-8-methylquinoline
423706-01	3-Amino-2-methylquinoline
sc-347192	3-methylquinoline-8-sulfonamide
sc-287701	2-Amino-3-methylquinoline