(1S)-4-Bromo-2,3-dihydro-1H-inden-1-amine Hydrochloride - CAS 1307873-37-5

Catalog:	BB072183
Product Name:	(1S)-4-Bromo-2,3-dihydro-1H-inden-1-amine Hydrochloride
CAS:	1307873-37-5
Synonyms:	(S)-4-Bromo-2,3-dihydro-1H-inden-1-amine hydrochloride; (S)-4-bromo-2,3-dihydro-1H-inden-1-amine-HCl; (1S)-4-bromo-2,3-dihydro-1H-inden-1-amine hydrochloride; (1S)-4-bromo-2,3-dihydro-1H-inden-1-amine; hydrochloride; (1S)-4-Bromo-2,3-dihydro-1H-inden-1-amine

Technical Data

IUPAC Name:	(1S)-4-bromo-2,3-dihydro-1H-inden-1-aminehydrochloride
Description:	(1S)-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-/m0./s1
InChI Key:	UDQTVGHTIXPFNZ-FVGYRXGTSA-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:	26Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0