6-Bromo-1,2,3,4-tetrahydroisoquinoline - CAS 226942-29-6
Catalog: |
BB017712 |
Product Name: |
6-Bromo-1,2,3,4-tetrahydroisoquinoline |
CAS: |
226942-29-6 |
Synonyms: |
6-bromo-1,2,3,4-tetrahydroisoquinoline; 6-bromo-1,2,3,4-tetrahydroisoquinoline |
IUPAC Name: | 6-bromo-1,2,3,4-tetrahydroisoquinoline |
Description: | 6-Bromo-1,2,3,4-tetrahydroisoquinoline (CAS# 226942-29-6) is a useful research chemical, an intermediate used in the synthetic preparation of other isoquinolinone derivatives. |
Molecular Weight: | 212.09 |
Molecular Formula: | C9H10BrN |
Canonical SMILES: | C1CNCC2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C9H10BrN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2 |
InChI Key: | URDGCPQHZSDBRG-UHFFFAOYSA-N |
Boiling Point: | 282.9 °C at 760 mmHg |
Density: | 1.428 g/cm3 |
MDL: | MFCD07374370 |
LogP: | 2.42360 |
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-112225745-A | Isopilasin compound with anti-tumor activity, preparation method and application | 20201116 |
CN-112225745-B | Isopilasin compound with anti-tumor activity, preparation method and application | 20201116 |
WO-2021201036-A1 | Hydroxypyrrolidine derivative and medicinal application thereof | 20200331 |
WO-2021178920-A1 | Compounds for targeted degradation of brd9 | 20200305 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.99966 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.99966 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 12 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Quinoline/Isoquinoline
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