Etomidate EP Impurity C

CAT: 1596-AR-E18359-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E18359-01Size:10 Units

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

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CAS Number

792842-51-4

Synonyms

Isopropyl 1- (1-phenylethyl) -1H-imidazole-5-carboxylate

Molecular Formula

C15H18N2O2

Molecular Weight

258.32

API Name

Etomidate

Chemical Information

1-Methylethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

CAS Number	792842-51-4
PubChem CID	201927
IUPAC Name	propan-2-yl 3-(1-phenylethyl)imidazole-4-carboxylate
Molecular Formula	C15H18N2O2
Molecular Weight	258.32
XLogP	3.5
Topological Polar Surface Area	44.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	301

SMILES

CC(C)OC(=O)C1=CN=CN1C(C)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2/c1-11(2)19-15(18)14-9-16-10-17(14)12(3)13-7-5-4-6-8-13/h4-12H,1-3H3

InChIKey

SEKLTEXFLCQQIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 792842-51-4

CID: 201927

Formula: C15H18N2O2

MW: 258.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	258.32
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	258.136827821
Monoisotopic Mass	258.136827821
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	301
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	1
Compound Is Canonicalized	Yes