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2-methoxy-4-{9-methyl-3,9-diazaspiro[5.5]undecan-3-yl}aniline - 97%, high purity , CAS No.1818847-36-7
Basic Description
Synonyms
1818847-36-7 | 2-Methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)aniline | 2-methoxy-4-{9-methyl-3,9-diazaspiro[5.5]undecan-3-yl}aniline | 2-Methoxy-4-{9-methyl-3,9-diazaspiro[5.5]undecan-3-ylaniline | MFCD29060161 | Benzenamine, 2-methoxy-4-(9-methyl-3,9-diaza
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Phenylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperidines
Alternative Parents
Azaspirodecane derivatives Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Alkyl aryl ethers Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpiperidine - Azaspirodecane - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
External Descriptors
Not available
Data sources
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.
Names and Identifiers
IUPAC Name
2-methoxy-4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)aniline
INCHI
InChI=1S/C17H27N3O/c1-19-9-5-17(6-10-19)7-11-20(12-8-17)14-3-4-15(18)16(13-14)21-2/h3-4,13H,5-12,18H2,1-2H3
InChIKey
UHRVNTWMSOLZCG-UHFFFAOYSA-N
Smiles
CN1CCC2(CC1)CCN(CC2)C3=CC(=C(C=C3)N)OC
Isomeric SMILES
CN1CCC2(CC1)CCN(CC2)C3=CC(=C(C=C3)N)OC
Molecular Weight
289.4158
Reaxy-Rn
29942453
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29942453&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
289.400 g/mol
XLogP3
2.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
289.215 Da
Monoisotopic Mass
289.215 Da
Topological Polar Surface Area
41.700 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
331.000
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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