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tert-butyl N-{1-azaspiro[3.3]heptan-6-yl}carbamate hydrochloride - 97%, high purity
Basic Description
Synonyms
1788044-12-1 | tert-Butyl 1-azaspiro[3.3]heptan-6-ylcarbamate hydrochloride | 2306253-30-3 | cis-6-(boc-amino)-1-azaspiro[3.3]heptane hydrochloride | tert-Butyl 1-azaspiro[3.3]heptan-6-ylcarbamate HCl | TERT-BUTYL N-{1-AZASPIRO[3.3]HEPTAN-6-YL}CARBAMATE HYDROCHLORI
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
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
Azetidines Dialkylamines Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Carbamic acid ester - Azetidine - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aliphatic heteropolycyclic 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
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 N-(1-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
INCHI
InChI=1S/C11H20N2O2.ClH/c1-10(2,3)15-9(14)13-8-6-11(7-8)4-5-12-11;/h8,12H,4-7H2,1-3H3,(H,13,14);1H
InChIKey
NOTAIHJBPKQTMR-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)NC1CC2(C1)CCN2.Cl
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
248.750 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
248.129 Da
Monoisotopic Mass
248.129 Da
Topological Polar Surface Area
50.400 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
264.000
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
2
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