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benzyl 3-(methylamino)azetidine-1-carboxylate - 97%, high purity , CAS No.1630907-35-5
Discover benzyl 3-(methylamino)azetidine-1-carboxylate by Aladdin Scientific in 97% for only $189.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
benzyl 3-(methylamino)azetidine-1-carboxylate | 1630907-35-5 | MFCD08703611 | 1-Cbz-N-methylazetidin-3-amine | DTXSID901171158 | AMY34031 | AKOS025289926 | SB21880 | AS-50586 | SY100185 | benzyl3-(methylamino)azetidine-1-carboxylate | CS-0049852 | P10640 | 1-Azetidinecarboxylic ac
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyloxycarbonyls
Intermediate Tree Nodes
Not available
Direct Parent
Benzyloxycarbonyls
Alternative Parents
Azetidinecarboxylic acids Carbamate esters Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyloxycarbonyl - Azetidinecarboxylic acid - Carbamic acid ester - Azetidine - Secondary aliphatic amine - Secondary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl 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
benzyl 3-(methylamino)azetidine-1-carboxylate
INCHI
InChI=1S/C12H16N2O2/c1-13-11-7-14(8-11)12(15)16-9-10-5-3-2-4-6-10/h2-6,11,13H,7-9H2,1H3
InChIKey
YKLRQIQMOPHXKS-UHFFFAOYSA-N
Smiles
CNC1CN(C1)C(=O)OCC2=CC=CC=C2
Isomeric SMILES
CNC1CN(C1)C(=O)OCC2=CC=CC=C2
PubChem CID
91800975
Molecular Weight
220.272
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
220.270 g/mol
XLogP3
1.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
220.121 Da
Monoisotopic Mass
220.121 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
233.000
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
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