(S)-3-(1-Aminoethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one - CAS 1350643-72-9
Catalog: |
BB008062 |
Product Name: |
(S)-3-(1-Aminoethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one |
CAS: |
1350643-72-9 |
Synonyms: |
3-[(1S)-1-aminoethyl]-8-chloro-2-phenyl-1-isoquinolinone; 3-[(1S)-1-aminoethyl]-8-chloro-2-phenylisoquinolin-1-one |
IUPAC Name: | 3-[(1S)-1-aminoethyl]-8-chloro-2-phenylisoquinolin-1-one |
Description: | (S)-3-(1-Aminoethyl)-8-chloro-2-phenylisoquinolin-1(2H)-one (CAS# 1350643-72-9) is a useful research chemical. |
Molecular Weight: | 298.77 |
Molecular Formula: | C17H15ClN2O |
Canonical SMILES: | CC(C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)N |
InChI: | InChI=1S/C17H15ClN2O/c1-11(19)15-10-12-6-5-9-14(18)16(12)17(21)20(15)13-7-3-2-4-8-13/h2-11H,19H2,1H3/t11-/m0/s1 |
InChI Key: | MZINZXIFJMLTOK-NSHDSACASA-N |
Storage: | Keep in dark place, Inert atmosphere, Store in freezer, under -20 °C |
LogP: | 4.36410 |
GHS Hazard Statement: | H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P312, P322, P337+P313, P363, and P501 |
Signal Word: | Warning |
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Complexity: | 431 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.0872908 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.0872908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Related Functional Groups
Quinoline/Isoquinoline
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