4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)aniline - CAS 82925-02-8
Catalog: |
BB043173 |
Product Name: |
4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)aniline |
CAS: |
82925-02-8 |
Synonyms: |
4-[2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-2-isoquinolinyl)ethyl]aniline; 4-[2-(3,4-Dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]-benzenamine; Benzenamine,4-[2-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)ethyl]- |
Application: |
Intermediate for the preparation of Elacridar |
IUPAC Name: | 4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline |
Description: | Intermediate for the preparation of Elacridar. |
Molecular Weight: | 312.41 |
Molecular Formula: | C19H24N2O2 |
Canonical SMILES: | COC1=C(C=C2CN(CCC2=C1)CCC3=CC=C(C=C3)N)OC |
InChI: | InChI=1S/C19H24N2O2/c1-22-18-11-15-8-10-21(13-16(15)12-19(18)23-2)9-7-14-3-5-17(20)6-4-14/h3-6,11-12H,7-10,13,20H2,1-2H3 |
InChI Key: | DGOOLMGPMIHRFY-UHFFFAOYSA-N |
Appearance: | White solid |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 357 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.183778013 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.183778013 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 47.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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