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tert-butyl N-methyl-N-(4-nitrophenyl)carbamate , CAS No.474020-88-7

COA

Cas Number: 474020-88-7
Molecular Weight: 252.27
PubChem CID: 58263718

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Item Number

T669606

Grouped product items
SKU	Size	Availability	Price	Qty
T669606-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90
T669606-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$448.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylcarbamic acid esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylcarbamic acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Phenylcarbamic acid esters
Alternative Parents	Nitrobenzenes Nitroaromatic compounds Carbamate esters Tertiary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylcarbamic acid ester - Nitrobenzene - Nitroaromatic compound - Carbamic acid ester - C-nitro compound - Tertiary amine - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic salt - Organic cation - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	tert-butyl N-methyl-N-(4-nitrophenyl)carbamate
INCHI	InChI=1S/C12H16N2O4/c1-12(2,3)18-11(15)13(4)9-5-7-10(8-6-9)14(16)17/h5-8H,1-4H3
InChIKey	FKIOMBZTRAZEBX-UHFFFAOYSA-N
Smiles	O=N(=O)C1=CC=C(C=C1)N(C)C(=O)OC(C)(C)C
Isomeric SMILES	CC(C)(C)OC(=O)N(C)C1=CC=C(C=C1)[N+](=O)[O-]
Alternate CAS	474020-88-7
PubChem CID	58263718
Molecular Weight	252.27

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	252.270 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	252.111 Da
Monoisotopic Mass	252.111 Da
Topological Polar Surface Area	75.400 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	311.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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