1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-ylidene)ethanamine;hydrochloride

2.1.2 InChI

InChI=1S/C13H15NO.ClH/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12;/h3-5H,1-2,6-8,14H2;1H

2.1.3 InChI Key

OCVCFFVMNWSCNO-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 227179-22-8

2. (e)-2-(1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-ylidene)ethylamine Hydrochloride

3. Schembl339103

4. (2e)-2-(1,2,6,7-tetrahydro-8h-indeno[5,4-b]furan-8-ylidene)ethanamine Hydrochloride (1:1)

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₆ClNO
Molecular Weight	237.72 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	35.3
Heavy Atom Count	16
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	2

CAS 227179-22-8