5,7-Dimethyl-1-tetralone - CAS 13621-25-5
Catalog: |
BB008315 |
Product Name: |
5,7-Dimethyl-1-tetralone |
CAS: |
13621-25-5 |
Synonyms: |
5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one |
IUPAC Name: | 5,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one |
Description: | 5,7-Dimethyl-1-tetralone (CAS# 13621-25-5) is a useful research chemical. |
Molecular Weight: | 174.24 |
Molecular Formula: | C12H14O |
Canonical SMILES: | CC1=CC(=C2CCCC(=O)C2=C1)C |
InChI: | InChI=1S/C12H14O/c1-8-6-9(2)10-4-3-5-12(13)11(10)7-8/h6-7H,3-5H2,1-2H3 |
InChI Key: | UYJCNOMEGPDXMV-UHFFFAOYSA-N |
Boiling Point: | 98-100 °C (0.2 mmHg) |
Melting Point: | 48-50 °C |
Purity: | 95 % |
Density: | 1.054 g/cm3 |
LogP: | 2.82240 |
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 |
EP-3630759-A1 | Ion channel inhibitor compounds for cancer treatment | 20170523 |
FR-3066761-A1 | NOVEL IONIC CHANNEL INHIBITOR COMPOUNDS | 20170523 |
WO-2018215557-A1 | Ion channel inhibitor compounds for cancer treatment | 20170523 |
JP-2020520982-A | Ion channel inhibitor compounds for cancer treatment | 20170523 |
US-2021009581-A1 | Ion channel inhibitor compounds for cancer treatment | 20170523 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.104465066 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.104465066 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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