2-(5,7-Dichloro-2-methyl-1H-indol-3-yl)ethanamine Hydrochloride - CAS 1049759-52-5
Catalog: |
BB062834 |
Product Name: |
2-(5,7-Dichloro-2-methyl-1H-indol-3-yl)ethanamine Hydrochloride |
CAS: |
1049759-52-5 |
Synonyms: |
2-(5,7-DICHLORO-2-METHYL-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE; 2-(5,7-Dichloro-2-methyl-1h-indol-3-yl)ethanamine, HCl |
IUPAC Name: | 2-(5,7-dichloro-2-methyl-1H-indol-3-yl)ethanaminehydrochloride |
Description: | 2-(5,7-Dichloro-2-methyl-1H-indol-3-yl)ethanamine Hydrochloride is a useful reactant for the preparation of prostaglandin receptor EP2 antagonists. |
Molecular Weight: | 243.13 +(36.46) |
Molecular Formula: | C11H12Cl2N2·HCl |
Canonical SMILES: | CC1=C(C2=C(N1)C(=CC(=C2)Cl)Cl)CCN.Cl |
InChI: | InChI=1S/C11H12Cl2N2.ClH/c1-6-8(2-3-14)9-4-7(12)5-10(13)11(9)15-6/h4-5,15H,2-3,14H2,1H31H |
InChI Key: | JBOPFZBTUCWNMV-UHFFFAOYSA-N |
References: | Ganesh, T., et al. PCT Int. Appl. (2020), WO 2020191208 A1. |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.014432 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.014432 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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