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 |
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 |
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 |
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 |
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 |
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Related Functional Groups
Quinoline/Isoquinoline
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