N-Allyl-1-indanamine - CAS 91639-43-9

Catalog:	BB076827
Product Name:	N-Allyl-1-indanamine
CAS:	91639-43-9
Synonyms:	2,3-Dihydro-N-2-propenyl-1H-Inden-1-amine; 2,3-Dihydro-N-2-propen-1-yl-1H-inden-1-amine; TV 3101; N-(Prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine

Technical Data

IUPAC Name:	N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
Description:	N-Allyl-1-indanamine is related to Rasagiline (R126030) which has been used to increase the availability of dopamine at striatal receptors as a method to treat Parkinson's disease.
Molecular Weight:	173.25
Molecular Formula:	C12H15N
Canonical SMILES:	C=CCNC1CCC2=CC=CC=C12
InChI:	InChI=1S/C12H15N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h2-6,12-13H,1,7-9H2
InChI Key:	RPAZWTZFMPXUKS-UHFFFAOYSA-N
References:	Mi, K., et al. J. Sep. Sci., 36, 3682-3687 (2013); Youdim, M.B.H., et al. Br. J. Pharmacol., 132, 500 (2001); Finberg, J.P., Rambam Maimonides Med. J., 1 (2010).

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.120449483
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.120449483
Rotatable Bond Count:	3
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4