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(1r,2s,4s)-rel-2-amino-7-boc-7-azabicyclo[2.2.1]heptane - 97%, high purity , CAS No.500556-93-4
Basic Description
Synonyms
500556-93-4 | (1r,2s,4s)-rel-2-amino-7-boc-7-azabicyclo[2.2.1]heptane | TERT-BUTYL (1R,2S,4S)-2-AMINO-7-AZABICYCLO[2.2.1]HEPTANE-7-CARBOXYLATE | 896464-21-4 | 2S-2-Amino-7-aza-bicyclo[2.2.1]heptane-7-carboxylic acid tert-butyl ester | MFCD18452871 | exo-2-Amino-7-Boc
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Pyrrolidine carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolidine carboxylic acids
Alternative Parents
Carbamate esters Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pyrrolidine carboxylic acid - Carbamic acid ester - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
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 (1R,2S,4S)-2-amino-7-azabicyclo[2.2.1]heptane-7-carboxylate
INCHI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(13)8(12)6-7/h7-9H,4-6,12H2,1-3H3/t7-,8-,9+/m0/s1
InChIKey
JRZFZVWZIJNIEQ-XHNCKOQMSA-N
Smiles
CC(C)(C)OC(=O)N1C2CCC1C(C2)N
Isomeric SMILES
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H](C2)N
PubChem CID
13006552
Molecular Weight
212.2887
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
212.290 g/mol
XLogP3
1.000
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
55.600 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
272.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
3
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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