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3-boc-3-azabicyclo[3.1.0]hexane-1-methanol - 97%, high purity , CAS No.161152-76-7
Discover 3-boc-3-azabicyclo[3.1.0]hexane-1-methanol by Aladdin Scientific in 97% for only $4,285.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
161152-76-7 | 3-BOC-3-AZABICYCLO[3.1.0]HEXANE-1-METHANOL | tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate | MFCD18073342 | 3-AZABICYCLO[3.1.0]HEXANE-3-CARBOXYLIC ACID, 1-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTER | SCHEMBL1238456 | cis-tert-butyl
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Piperidinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Piperidinecarboxylic acids
Alternative Parents
Pyrrolidine carboxylic acids Carbamate esters Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Azacycle - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteropolycyclic 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
Data sources
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.
Names and Identifiers
IUPAC Name
tert-butyl 1-(hydroxymethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
INCHI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-5-8-4-11(8,6-12)7-13/h8,13H,4-7H2,1-3H3
InChIKey
BTWDGFQQIGGAPU-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CC2CC2(C1)CO
Isomeric SMILES
CC(C)(C)OC(=O)N1CC2CC2(C1)CO
Molecular Weight
213.277
Reaxy-Rn
21227709
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21227709&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
213.270 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
213.136 Da
Monoisotopic Mass
213.136 Da
Topological Polar Surface Area
49.800 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
284.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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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