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tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate - 97%, high purity , CAS No.291533-28-3

COA

Grade & Purity:

≥97%

Cas Number: 291533-28-3
Molecular Weight: 215.29
EC Number: 803-672-0
MDL number: MFCD11975365
PubChem CID: 14249472

In stock

Item Number

T633541

Grouped product items
SKU	Size	Availability	Price
T633541-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$401.90
T633541-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,288.90
T633541-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,575.90

Basic Description

Synonyms	Carbamic acid, [(1R,2S)-2-hydroxycyclohexyl]-, 1,1-dimethylethyl ester \| BS-42769 \| rac-tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate \| TERT-BUTYL (CIS-2-HYDROXYCYCLOHEXYL)CARBAMATE \| (1R,2S)-1-(Boc-amino)-2-hydroxycyclohexane \| Carbamic acid, N-[(1
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Alcohols and polyols
      - Level5 Secondary alcohols
        Level6 Cyclohexanols

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Alcohols and polyols
Intermediate Tree Nodes	Secondary alcohols
Direct Parent	Cyclohexanols
Alternative Parents	Carbamate esters Organic carbonic acids and derivatives Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclohexanol - Carbamic acid ester - Cyclic alcohol - Carbonic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
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-[(1R,2S)-2-hydroxycyclohexyl]carbamate
INCHI	InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKey	XVROWZPERFUOCE-BDAKNGLRSA-N
Smiles	CC(C)(C)OC(=O)NC1CCCCC1O
Isomeric SMILES	CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1O
Alternate CAS	291533-28-3
Molecular Weight	215.29
Reaxy-Rn	8993858
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8993858&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	215.290 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	215.152 Da
Monoisotopic Mass	215.152 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	222.000
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

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