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3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane - 97%, high purity , CAS No.1854943-73-9

COA

Grade & Purity:

≥97%

Cas Number: 1854943-73-9
Molecular Weight: 319.405
PubChem CID: 118639982

In stock

Item Number

M175256

Grouped product items
SKU	Size	Availability	Price	Qty
M175256-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,503.90

Basic Description

Synonyms	3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane \| 1854943-73-9 \| MFCD30471623 \| SCHEMBL17411235 \| DTXSID801172834 \| AMY34772 \| AKOS030238185 \| SB40472 \| AS-53040 \| SY099172 \| CS-0051759 \| P16008
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Amines
      - Level5 Tertiary amines
        Level6 Triarylamines

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Amines
Intermediate Tree Nodes	Tertiary amines
Direct Parent	Triarylamines
Alternative Parents	Phenylpiperidines Azaspirodecane derivatives Aminophenyl ethers Phenoxy compounds Nitroaromatic compounds Methoxybenzenes Dialkylarylamines Anisoles Aniline and substituted anilines Alkyl aryl ethers Trialkylamines Propargyl-type 1,3-dipolar organic compounds Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Tertiary aromatic amine - Phenylpiperidine - Azaspirodecane - Aminophenyl ether - Phenoxy compound - Nitroaromatic compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Piperidine - Monocyclic benzene moiety - Organic nitro compound - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Enamine - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as triarylamines. These are organic compounds containing a trialkylamine group, characterized by exactly three aryl groups bonded to the amino nitrogen.
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	3-(3-methoxy-4-nitrophenyl)-9-methyl-3,9-diazaspiro[5.5]undecane
INCHI	InChI=1S/C17H25N3O3/c1-18-9-5-17(6-10-18)7-11-19(12-8-17)14-3-4-15(20(21)22)16(13-14)23-2/h3-4,13H,5-12H2,1-2H3
InChIKey	FEPWQTGPHXVXRC-UHFFFAOYSA-N
Smiles	CN1CCC2(CC1)CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])OC
Isomeric SMILES	CN1CCC2(CC1)CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])OC
Molecular Weight	319.405
Reaxy-Rn	29942452
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29942452&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	319.400 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	319.19 Da
Monoisotopic Mass	319.19 Da
Topological Polar Surface Area	61.500 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	408.000
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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