tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate - ≥97% , CAS No.1147557-97-8

CAS: 1147557-97-8 Cat. No.: T172151 Molecular Weight: 213.277 EC Number: 810-579-9 PubChem CID: 52987765

GRADE & PURITY ≥97%

Synonyms

J-518779 | DTXSID80680960 | 2-Boc-2-azaspiro[3.3]heptan-6-ol | BCP14912 | AU-004/43508087 | 2-Boc-6-hydroxy-2-aza-spiro[3.3]heptane | BBL102076 | SB21648 | Thiophosphate de O,O-dimethyle et de S-((5-methoxy-4-pyronyl)-methyle) [French] | UMXXHZDEAZUQKZ-UH

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

J-518779 | DTXSID80680960 | 2-Boc-2-azaspiro[3.3]heptan-6-ol | BCP14912 | AU-004/43508087 | 2-Boc-6-hydroxy-2-aza-spiro[3.3]heptane | BBL102076 | SB21648 | Thiophosphate de O, O-dimethyle et de S-((5-methoxy-4-pyronyl)-methyle) [French] | UMXXHZDEAZUQKZ-UH

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504771086
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771086
• Canonical Smiles: CC(C)(C)OC(=O)N1CC2(C1)CC(C2)O
• IUPAC Name: tert-butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate
• InChIKey: UMXXHZDEAZUQKZ-UHFFFAOYSA-N
• INCHI: 1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-11(7-12)4-8(13)5-11/h8,13H,4-7H2,1-3H3
• Isomeric SMILES: CC(C)(C)OC(=O)N1CC2(C1)CC(C2)O
• PubChem CID: 52987765
• Molecular Weight: 213.277

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azetidines
      • Subclass Azetidinecarboxylic acids or derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azetidines
• Subclass: Azetidinecarboxylic acids or derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Azetidinecarboxylic acids
• Alternative Parents: Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Azetidinecarboxylic acid - Carbamic acid ester - Cyclobutanol - Carbonic acid derivative - Secondary alcohol - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as azetidinecarboxylic acids. These are organic compounds containing a carboxylic acid group attached to an azetidine ring.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 213.270 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• 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: 268.000
• 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