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Methyl-tert-butylnitrosamine

CAT: 1459-CS-O-35375Size: 1 EachDry Ice: NoHazardous: No
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Description
Methyl-tert-butylnitrosamine is listed under Nitrosamine and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Nitrosamines. The product is supplied by Clearsynth under CAT No. CS-O-35375. 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
2504-18-9
Synonyms
Methyl-tert-butylnitrosamine
Molecular Formula
C 5 H 12 N 2 O
Molecular Weight
116.2
Additionnal Information
Methyl-tert-butylnitrosamine is supplied with detailed characterization data compliant with regulatory guideline. Methyl-tert-butylnitrosamine 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 Nitrosamines.
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 complete information.

Chemical Information

N,2-Dimethyl-N-nitroso-2-propanamine
CAS Number2504-18-9
PubChem CID75630
IUPAC NameN-tert-butyl-N-methylnitrous amide
Molecular FormulaC5H12N2O
Molecular Weight116.16
XLogP0.8
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity84
SMILES
CC(C)(C)N(C)N=O
InChI
InChI=1S/C5H12N2O/c1-5(2,3)7(4)6-8/h1-4H3
InChIKey
YDNOESAJRGHRAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,2-Dimethyl-N-nitroso-2-propanamine
CAS: 2504-18-9
CID: 75630
Formula: C5H12N2O
MW: 116.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.16
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass116.094963011
Monoisotopic Mass116.094963011
Topological Polar Surface Area32.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity84.9
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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