Ramelteon Impurity 1 HCl

CAT: 1596-AR-R10272-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-R10272-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1252018-54-4

Synonyms

2- (7,8-Dihydro-6H-indeno[5,4-b]furan-8-yl) ethan-1-amine, hydrochloride (1:1)

Molecular Formula

C13H15NO. HCl

Molecular Weight

201.27 36.46

API Name

Ramelteon

Chemical Information

Ramelteon Impurity 26 HCl

CAS Number	1252018-54-4
PubChem CID	168429469
IUPAC Name	2-(7,8-dihydro-6H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
Molecular Formula	C13H16ClNO
Molecular Weight	237.72
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	231

SMILES

C1CC2=C(C1CCN)C3=C(C=C2)OC=C3.Cl

InChI

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

InChIKey

GYSZCVAGFSZWRX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1252018-54-4

CID: 168429469

Formula: C13H16ClNO

MW: 237.72

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	237.72
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	237.0920418
Monoisotopic Mass	237.0920418
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	231
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes