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9-benzyl 2-tert-butyl 2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate - 97%, high purity , CAS No.1160247-08-4

COA

Grade & Purity:

≥97%

Cas Number: 1160247-08-4
Molecular Weight: 375.46
PubChem CID: 56973603

In stock

Item Number

B677439

Grouped product items
SKU	Size	Availability	Price
B677439-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$524.90
B677439-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$838.90
B677439-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,396.90
B677439-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,094.90
B677439-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$6,282.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Piperazine carboxylic acids Pyrrolidine carboxylic acids Carbamate esters Tertiary amines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzyloxycarbonyl - Piperazine-1-carboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - 1,4-diazinane - Piperazine - Carbamic acid ester - Pyrrolidine - Tertiary amine - Secondary amine - Secondary aliphatic amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic 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	9-O-benzyl 2-O-tert-butyl 2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate
INCHI	InChI=1S/C20H29N3O4/c1-19(2,3)27-18(25)22-11-9-20(14-22)15-23(12-10-21-20)17(24)26-13-16-7-5-4-6-8-16/h4-8,21H,9-15H2,1-3H3
InChIKey	ONPXNIKYGMESAQ-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCC2(C1)CN(CCN2)C(=O)OCC3=CC=CC=C3
Isomeric SMILES	CC(C)(C)OC(=O)N1CCC2(C1)CN(CCN2)C(=O)OCC3=CC=CC=C3
PubChem CID	56973603
Molecular Weight	375.46

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	375.500 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	375.216 Da
Monoisotopic Mass	375.216 Da
Topological Polar Surface Area	71.100 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	542.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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