Etomidate Impurity 46

CAT: 1299-RM-E201346-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-E201346-02Size:25 mg

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CAS Number

141264-15-5

Synonyms

N-formyl-N- (1-phenylethyl) formamide

Molecular Formula

C10H11NO2

Molecular Weight

177.2

Target Alternative Name

Etomidate

Product Name Synonym

N-formyl-N- (1-phenylethyl) formamide

Chemical Information

Etomidate Impurity 46

CAS Number	141264-15-5
PubChem CID	85639988
IUPAC Name	N-formyl-N-(1-phenylethyl)formamide
Molecular Formula	C10H11NO2
Molecular Weight	177.20
XLogP	1.4
Topological Polar Surface Area	37.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	168

SMILES

CC(C1=CC=CC=C1)N(C=O)C=O

InChI

InChI=1S/C10H11NO2/c1-9(11(7-12)8-13)10-5-3-2-4-6-10/h2-9H,1H3

InChIKey

ZLDBFVDPJRVDFM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 141264-15-5

CID: 85639988

Formula: C10H11NO2

MW: 177.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.20
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	177.078978594
Monoisotopic Mass	177.078978594
Topological Polar Surface Area	37.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	168
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