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1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde

1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde - CAS 493-50-5

Catalog:	BB026697
Product Name:	1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde
CAS:	493-50-5
Synonyms:	1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-methyl-3,4-dihydro-2H-quinoline-6-carbaldehyde
Description:	1-Methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde (CAS# 493-50-5) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C11H13NO
Canonical SMILES:	CN1CCCC2=C1C=CC(=C2)C=O
InChI:	InChI=1S/C11H13NO/c1-12-6-2-3-10-7-9(8-13)4-5-11(10)12/h4-5,7-8H,2-3,6H2,1H3
InChI Key:	XPXZIZIGEKZVMQ-UHFFFAOYSA-N
Boiling Point:	342.7 °C at 760 mmHg
Density:	1.102 g/cm³
MDL:	MFCD03180300
LogP:	1.94650

Publication Number	Title	Priority Date
WO-2019191189-A1	Compounds as modulators of tlr2 signaling	20180327
CN-112020494-A	Compounds useful as modulators of TLR2signaling	20180327
IL-277418-D0	Modulating compounds for trl2 signaling, preparations containing them and their uses	20180327
KR-20200138323-A	Compounds as modulators of TLR2 signaling	20180327
EP-3774736-A1	Compounds as modulators of tlr2 signaling	20180327

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Related Functional Groups

Quinoline/Isoquinoline

[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline
[938459-19-9]
2-Chloro-4-methyl-7-(methylthio)quinoline
[361982-79-8]
2-Chloro-4-methyl-7,8-dihydro-6H-cyclopenta[g]quinoline
[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.099714038
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.099714038
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9