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tert-butyl 3-nitropiperidine-1-carboxylate - 97%, high purity , CAS No.1313738-96-3

COA

Grade & Purity:

≥97%

Cas Number: 1313738-96-3
Molecular Weight: 230.26
EC Number: 839-123-7
PubChem CID: 53346565

In stock

Item Number

T628228

Grouped product items
SKU	Size	Availability	Price
T628228-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90
T628228-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$233.90
T628228-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$389.90
T628228-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$583.90
T628228-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,921.90

Basic Description

Synonyms	3-Nitropiperidine-1-carboxylic acid tert-butyl ester \| AKOS015907492 \| PS-15725 \| DTXSID30693520 \| EN300-768689 \| W-205360 \| AKOS015949276 \| E87643 \| 1313738-96-3 \| AMY24071 \| tert-butyl 3-Nitropiperidin-1-carboxylate \| PB48099 \| FT-0685131 \| 1-Boc-3-nitr
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Piperidines
    - Subclass Piperidinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Piperidines
Subclass	Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Piperidinecarboxylic acids
Alternative Parents	Carbamate esters C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Piperidinecarboxylic acid - Carbamic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carbonyl group - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic cation - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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 3-nitropiperidine-1-carboxylate
INCHI	InChI=1S/C10H18N2O4/c1-10(2,3)16-9(13)11-6-4-5-8(7-11)12(14)15/h8H,4-7H2,1-3H3
InChIKey	GSYKFOZNUUEUBY-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1CCCC(C1)[N+](=O)[O-]
Isomeric SMILES	CC(C)(C)OC(=O)N1CCCC(C1)[N+](=O)[O-]
Alternate CAS	1313738-96-3
PubChem CID	53346565
Molecular Weight	230.26

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	230.260 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	230.127 Da
Monoisotopic Mass	230.127 Da
Topological Polar Surface Area	75.400 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	280.000
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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