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3-boc-3,7-diazabicyclo[4.2.0]octane - 97%, high purity , CAS No.885271-67-0
Discover 3-boc-3,7-diazabicyclo[4.2.0]octane by Aladdin Scientific in 97% for only $3,036.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
885271-67-0 | 3-Boc-3,7-diazabicyclo[4.2.0]octane | tert-butyl 3,7-diazabicyclo[4.2.0]octane-3-carboxylate | MFCD08234914 | 1250993-51-1 | MFCD18384926 | MFCD21332889 | SCHEMBL21801914 | DTXSID80656408 | AKOS015840956 | PB13824 | PB18855 | SB20146 | SB20147 | AM804484 | AS-41933 | SY016
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
Carbamate esters Tertiary amines Azetidines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - Carbamic acid ester - Azetidine - Tertiary amine - Secondary aliphatic amine - Secondary amine - Azacycle - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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 3,7-diazabicyclo[4.2.0]octane-3-carboxylate
INCHI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-9-8(7-13)6-12-9/h8-9,12H,4-7H2,1-3H3
InChIKey
TUIAJQPTVCSWOB-UHFFFAOYSA-N
Smiles
CC(C)(C)OC(=O)N1CCC2C(C1)CN2
Isomeric SMILES
CC(C)(C)OC(=O)N1CCC2C(C1)CN2
Molecular Weight
212.293
Reaxy-Rn
37998268
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37998268&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
212.290 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
212.152 Da
Monoisotopic Mass
212.152 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
260.000
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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