Ethanolamine Impurity 4

CAT: 1596-AR-E10555-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E10555-02Size:25 Units

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CAS Number

849472-99-7

Molecular Formula

C15H24N2O2

Molecular Weight

264.37

API Name

Ethanolamine

Chemical Information

Tert-butyl 2-(benzyl(methyl)amino)ethylcarbamate

CAS Number	849472-99-7
PubChem CID	50999034
IUPAC Name	tert-butyl N-[2-[benzyl(methyl)amino]ethyl]carbamate
Molecular Formula	C15H24N2O2
Molecular Weight	264.36
XLogP	2.5
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	19
Formal Charge	0
Complexity	268

SMILES

CC(C)(C)OC(=O)NCCN(C)CC1=CC=CC=C1

InChI

InChI=1S/C15H24N2O2/c1-15(2,3)19-14(18)16-10-11-17(4)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,16,18)

InChIKey

AZWYVTAQBOKVTA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 849472-99-7

CID: 50999034

Formula: C15H24N2O2

MW: 264.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	264.36
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	264.183778013
Monoisotopic Mass	264.183778013
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-E10563-01	Ethanolamine Impurity 8
AR-E10554-01	Ethanolamine Impurity 2
AR-E10556-01	Ethanolamine Impurity 5
AR-E10553-01	Ethanolamine Impurity 1
AR-E10557-01	Ethanolamine Impurity 6
AR-E10558-01	Ethanolamine Impurity 7 DiHCl
AR-E10560-01	Ethanolamine Impurity 6-d3
AR-E10559-01	Ethanolamine Impurity 5-d3
AR-E10561-01	Ethanolamine Impurity 7-d3 DiHCl
AR-E10565-01	N1-Nitroso Ethanolamine Impurity 8

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164059	Ethanolamine-13C2
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TRC-C432805-50MG	Ciclopirox Ethanolamine
TRC-E676506-5MG	Ethanolamine-d7
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