6-Methoxy-1,2,3,4-tetrahydroisoquinoline - CAS 42923-77-3
Catalog: |
BB025280 |
Product Name: |
6-Methoxy-1,2,3,4-tetrahydroisoquinoline |
CAS: |
42923-77-3 |
Synonyms: |
6-methoxy-1,2,3,4-tetrahydroisoquinoline; 6-methoxy-1,2,3,4-tetrahydroisoquinoline |
IUPAC Name: | 6-methoxy-1,2,3,4-tetrahydroisoquinoline |
Description: | 6-Methoxy-1,2,3,4-tetrahydroisoquinoline (CAS# 42923-77-3) is used in the synthesis of novel spirobicyclic Artemisinin (A777500) analogues for anti-tumor activity. |
Molecular Weight: | 163.22 |
Molecular Formula: | C10H13NO |
Canonical SMILES: | COC1=CC2=C(CNCC2)C=C1 |
InChI: | InChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3 |
InChI Key: | YYTAYINRPUJPNH-UHFFFAOYSA-N |
Boiling Point: | 283.6 °C at 760 mmHg |
Density: | 1.044 g/cm3 |
MDL: | MFCD01717129 |
LogP: | 1.66970 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113200912-A | Method for synthesizing cyanamide | 20210413 |
CN-110483511-B | Synthetic method of quinazolinone polycyclic compound | 20190909 |
WO-2021000935-A1 | Hpk1 inhibitors and uses thereof | 20190704 |
KR-20200145661-A | Quinolizidine compound and the manufacturing method thereof | 20190619 |
CN-111825608-A | Tetrahydroquinoline and tetrahydroisoquinoline compounds and application thereof | 20190418 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 163.099714038 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 163.099714038 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 21.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Quinoline/Isoquinoline
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