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(3R,4R)-N,4-Dimethyl-1-benzyl-3-piperidinamine - 98%, high purity , CAS No.477600-70-7
Basic Description
Synonyms
(3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE | 477600-70-7 | cis-1-Benzyl-N,4-dimethylpiperidin-3-amine | (3R,4R)-N,4-Dimethyl-1-benzyl-3-piperidinamine | MFCD09475548 | 477600-69-4 | 3-PIPERIDINAMINE, N,4-DIMETHYL-1-(PHENYLMETHYL)-, (3R,4R)- | (3R,4R)-(1-BENZYL-4-ME
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Phenylmethylamines Benzylamines Aralkylamines Aminopiperidines Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylpiperidine - Benzylamine - Phenylmethylamine - 3-aminopiperidine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Secondary aliphatic amine - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring 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
Pubchem Sid
504770449
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504770449
IUPAC Name
(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine
INCHI
InChI=1S/C14H22N2/c1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3/t12-,14+/m1/s1
InChIKey
NVKDDQBZODSEIN-OCCSQVGLSA-N
Smiles
CC1CCN(CC1NC)CC2=CC=CC=C2
Isomeric SMILES
C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2
Molecular Weight
218.34
Reaxy-Rn
14424780
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14424780&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive
Molecular Weight
218.340 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
218.178 Da
Monoisotopic Mass
218.178 Da
Topological Polar Surface Area
15.300 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
199.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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
Citations of This Product
1.
Ran Xu, Qican Pan, Guoliang Zhu, Yilin Ye, Minghui Xin, Zechen Wang, Sheng Wang, Weifeng Li, Yanjie Wei, Jingjing Guo, Liangzhen Zheng.
(2024)
ThermoLink: Bridging disulfide bonds and enzyme thermostability through database construction and machine learning prediction. PROTEIN SCIENCE,
33
(9):
(e5097).
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1 Citations
I2305331