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(S)-tert-Butyl 3-(((benzyloxy)carbonyl)amino)piperidine-1-carboxylate - ≥95%, high purity , CAS No.1002360-09-9

COA

Grade & Purity:

≥95%

Cas Number: 1002360-09-9
Molecular Weight: 334.416
PubChem CID: 27281783

In stock

Item Number

T731621

Grouped product items
SKU	Size	Availability	Price	Qty
T731621-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$176.90
T731621-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$441.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzyloxycarbonyls

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyloxycarbonyls
Intermediate Tree Nodes	Not available
Direct Parent	Benzyloxycarbonyls
Alternative Parents	Piperidinecarboxylic acids Carbamate esters Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzyloxycarbonyl - Piperidinecarboxylic acid - Piperidine - Carbamic acid ester - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
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 (3S)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
INCHI	InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-11-7-10-15(12-20)19-16(21)23-13-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKey	DPJNXCVNNCIYKQ-HNNXBMFYSA-N
Smiles	CC(C)(C)OC(=O)N1CCCC(C1)NC(=O)OCC2=CC=CC=C2
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC[C@@H](C1)NC(=O)OCC2=CC=CC=C2
PubChem CID	27281783
Molecular Weight	334.416

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	334.400 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	334.189 Da
Monoisotopic Mass	334.189 Da
Topological Polar Surface Area	67.900 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	427.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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