N-(2-Chloroprop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine - CAS 1179031-47-0

Catalog:	BB074534
Product Name:	N-(2-Chloroprop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine
CAS:	1179031-47-0
Synonyms:	N-(2-Chloro-2-propen-1-yl)-2,3-dihydro-1H-inden-1-amine

Technical Data

IUPAC Name:	N-(2-chloroprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
Description:	N-(2-Chloroprop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine is related to the drug Rasagiline(R126030). Rasagiline is used to increase the availability of dopamine at striatal receptors as a method to treat Parkinsons disease.
Molecular Weight:	207.69
Molecular Formula:	C12H14NCl
Canonical SMILES:	C=C(CNC1CCC2=CC=CC=C12)Cl
InChI:	InChI=1S/C12H14ClN/c1-9(13)8-14-12-7-6-10-4-2-3-5-11(10)12/h2-5,12,14H,1,6-8H2
InChI Key:	VMSMHLATUDKJLI-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Ethyl Acetate (Sparingly)
Appearance:	Pale Brown to Brown Oil
Storage:	4°C, Light sensitive
References:	Youdim, M.B.H., et al. Br. J. Pharmacol., 132, 500 (2001); Finberg, J.P., Rambam Maimonides Med. J., 1 (2010).

Complexity:	214
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.0814771
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.0814771
Rotatable Bond Count:	3
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8