(1R)-4-Bromo-2,3-dihydro-1H-inden-1-amine Hydrochloride - CAS 1307231-02-2
Catalog: |
BB072176 |
Product Name: |
(1R)-4-Bromo-2,3-dihydro-1H-inden-1-amine Hydrochloride |
CAS: |
1307231-02-2 |
Synonyms: |
(R)-4-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride; (R)-4-bromo-2,3-dihydro-1H-inden-1-amine-HCl; (1R)-4-Bromo-2,3-dihydro-1H-inden-1-amine Hydrochloride; (R)-4-bromo-2,3-dihydro-1H-inden-1-amine HCl; (1R)-4-bromo-2,3-dihydro-1H-inden-1-amine; hydrochloride |
IUPAC Name: | (1R)-4-bromo-2,3-dihydro-1H-inden-1-aminehydrochloride |
Description: | (1R)-4-Bromo-2,3-dihydro-1H-inden-1-amine is used to prepare sphingosine 1 phosphate receptor modulators useful in treatment of S1P1-associated diseases. |
Molecular Weight: | 248.55 |
Molecular Formula: | C9H11BrClN |
Canonical SMILES: | C1CC2=C(C1N)C=CC=C2Br.Cl |
InChI: | InChI=1S/C9H10BrN.ClH/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9H,4-5,11H21H/t9-/m1./s1 |
InChI Key: | UDQTVGHTIXPFNZ-SBSPUUFOSA-N |
References: | Boehm, M., et al. PCT Int. Appl., WO 2012158550 A2 20121122 (2012). |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.97634 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.97634 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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