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N-NITROSO-2-HYDROXYETHYL BENZYLAMINE

CAT: 1459-CS-O-40099Size: 1 EachDry Ice: NoHazardous: No
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Description
N-NITROSO-2-HYDROXYETHYL BENZYLAMINE is listed under Nitrosamine and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Aprepitant. The product is supplied by Clearsynth under CAT No. CS-O-40099. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
77817-40-4
Synonyms
N-NITROSO-2-HYDROXYETHYL BENZYLAMINE
Molecular Formula
C 9 H 12 N 2 O 2
Molecular Weight
180.20
Additionnal Information
N-NITROSO-2-HYDROXYETHYL BENZYLAMINE is supplied with detailed characterization data compliant with regulatory guideline. N-NITROSO-2-HYDROXYETHYL BENZYLAMINE can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Aprepitant.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for accurate information.

Chemical Information

2-(N-nitroso-N-benzylamino)ethanol
CAS Number77817-40-4
PubChem CID12684761
IUPAC NameN-benzyl-N-(2-hydroxyethyl)nitrous amide
Molecular FormulaC9H12N2O2
Molecular Weight180.20
XLogP1
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity147
SMILES
C1=CC=C(C=C1)CN(CCO)N=O
InChI
InChI=1S/C9H12N2O2/c12-7-6-11(10-13)8-9-4-2-1-3-5-9/h1-5,12H,6-8H2
InChIKey
YGPDPBGRXOGBLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(N-nitroso-N-benzylamino)ethanol
CAS: 77817-40-4
CID: 12684761
Formula: C9H12N2O2
MW: 180.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.20
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass180.089877630
Monoisotopic Mass180.089877630
Topological Polar Surface Area52.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity147
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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