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tert-butyl N-(3-cyanocyclobutyl)carbamate - 97%, high purity , CAS No.1393180-29-4

COA

Grade & Purity:

≥97%

Cas Number: 1393180-29-4
Molecular Weight: 196.25
EC Number: 844-550-7
PubChem CID: 68158009

In stock

Item Number

T635600

Grouped product items
SKU	Size	Availability	Price	Qty
T635600-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$437.90
T635600-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,183.90

Basic Description

Synonyms	AS-54250 \| 1393180-29-4 \| tert-butyl N-(3-cyanocyclobutyl)carbamate \| SB22366 \| 2230789-54-3 \| TERT-BUTYL (CIS-3-CYANOCYCLOBUTYL)CARBAMATE \| tert-butyl N-[(1s,3s)-3-cyanocyclobutyl]carbamate \| MFCD28524621 \| SCHEMBL11901886 \| 1799727-32-4 \| Z3243467047 \|
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Carbamic acids and derivatives
        Level7 Carbamate esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Carbamic acids and derivatives
Direct Parent	Carbamate esters
Alternative Parents	Organic carbonic acids and derivatives Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Carbamic acid ester - Carbonic acid derivative - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
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 N-(3-cyanocyclobutyl)carbamate
INCHI	InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-8-4-7(5-8)6-11/h7-8H,4-5H2,1-3H3,(H,12,13)
InChIKey	QCUKEYZJVYABFL-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1CC(C1)C#N
Isomeric SMILES	CC(C)(C)OC(=O)NC1CC(C1)C#N
Alternate CAS	1393180-29-4
PubChem CID	68158009
Molecular Weight	196.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	196.250 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	196.121 Da
Monoisotopic Mass	196.121 Da
Topological Polar Surface Area	62.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	266.000
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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