Etomidate Impurity 24

CAT: 1596-AR-E10716-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E10716-03Size:50 Units

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

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CAS Number

91284-61-6

Molecular Formula

C11H15NO2

Molecular Weight

193.25

API Name

Etomidate

Chemical Information

Methyl 2-([(1r)-1-phenylethyl]amino)acetate

CAS Number	91284-61-6
PubChem CID	40493097
IUPAC Name	methyl 2-[[(1R)-1-phenylethyl]amino]acetate
Molecular Formula	C11H15NO2
Molecular Weight	193.24
XLogP	1.6
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	176

SMILES

C[C@H](C1=CC=CC=C1)NCC(=O)OC

InChI

InChI=1S/C11H15NO2/c1-9(12-8-11(13)14-2)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t9-/m1/s1

InChIKey

DMDBHLORZIDHQB-SECBINFHSA-N

Chemical Structure

2D Structure

CAS: 91284-61-6

CID: 40493097

Formula: C11H15NO2

MW: 193.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.24
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	193.110278721
Monoisotopic Mass	193.110278721
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes