Etomidate Impurity 64

CAT: 1299-RM-E201364-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E201364-02Size:25 mg

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CAS Number

22263-68-9

Synonyms

Ethyl (S) - (1-phenylethyl) glycinate

Molecular Formula

C12H17NO2

Molecular Weight

207.27

Target Alternative Name

Etomidate

Product Name Synonym

Ethyl (S) - (1-phenylethyl) glycinate

Chemical Information

Ethyl (S)-2-(1-Phenylethylamino)acetate

CAS Number	22263-68-9
PubChem CID	12213618
IUPAC Name	ethyl 2-[[(1S)-1-phenylethyl]amino]acetate
Molecular Formula	C12H17NO2
Molecular Weight	207.27
XLogP	2
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	188

SMILES

CCOC(=O)CN[C@@H](C)C1=CC=CC=C1

InChI

InChI=1S/C12H17NO2/c1-3-15-12(14)9-13-10(2)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-/m0/s1

InChIKey

NFYBPTIJJCODFR-JTQLQIEISA-N

Chemical Structure

2D Structure

CAS: 22263-68-9

CID: 12213618

Formula: C12H17NO2

MW: 207.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.27
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	207.125928785
Monoisotopic Mass	207.125928785
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	188
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