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2-((Di-tert-butylphosphinomethyl)-6-diethylaminomethyl)pyridine - 98%, high purity , CAS No.863971-66-8
Basic Description
Synonyms
SC11682 | SCHEMBL2720536 | N-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]-N-ethylethanamine | N-({6-[(Di-tert-butylphosphanyl)methyl]pyridin-2-yl}methyl)-N-ethylethanamine | MFCD11656080 | 2-((Di-tert-butylphosphinomethyl)-6-diethylaminomethyl)p
Specifications & Purity
≥98%
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
2-pyridylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
6-substituted-2-pyridinylmethylamines
Alternative Parents
Aralkylamines Heteroaromatic compounds Trialkylamines Organic phosphines and derivatives Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
6-substituted-2-pyridinylmethylamine - Aralkylamine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Phosphine - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organophosphorus compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 6-substituted-2-pyridinylmethylamines. These are aromatic heterocyclic compounds contaning a pyridine ring which is substituted at the 2-position with a methylamine, and at the 6-position with any non-hydrogen atom.
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
N-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]-N-ethylethanamine
INCHI
InChI=1S/C19H35N2P/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8/h11-13H,9-10,14-15H2,1-8H3
InChIKey
MTBWGMDPQBSPGF-UHFFFAOYSA-N
Smiles
CCN(CC)CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C
Isomeric SMILES
CCN(CC)CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C
WGK Germany
3
Molecular Weight
322.47
Reaxy-Rn
10176246
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10176246&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Moisture sensitive
Refractive Index
1.519
Molecular Weight
322.500 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
8
Exact Mass
322.254 Da
Monoisotopic Mass
322.254 Da
Topological Polar Surface Area
16.100 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
298.000
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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C2408318