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benzyl 3-amino-3-methylpyrrolidine-1-carboxylate - 97%, high purity , CAS No.1215020-90-8
Discover benzyl 3-amino-3-methylpyrrolidine-1-carboxylate by Aladdin Scientific in 97% for only $2,102.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
benzyl 3-amino-3-methylpyrrolidine-1-carboxylate | 1215020-90-8 | 1-Cbz-3-amino-3-methylpyrrolidine | MFCD12756141 | Benzyl 3-amino-3-methyl-pyrrolidine-1-carboxylate | DTXSID10670495 | AKOS015919112 | PB13554 | AS-33864 | SY040588 | CS-0049845 | FT-0764043 | 1-Cbz-3-amino-3-met
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
Pyrrolidine carboxylic acids Carbamate esters Tertiary amines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyloxycarbonyl - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine - Carbamic acid ester - Tertiary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Amine - 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-amino-3-methylpyrrolidine-1-carboxylate
INCHI
InChI=1S/C13H18N2O2/c1-13(14)7-8-15(10-13)12(16)17-9-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3
InChIKey
YUBXVEPWFANRDT-UHFFFAOYSA-N
Smiles
CC1(CCN(C1)C(=O)OCC2=CC=CC=C2)N
Isomeric SMILES
CC1(CCN(C1)C(=O)OCC2=CC=CC=C2)N
PubChem CID
45489884
Molecular Weight
234.299
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
234.290 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
234.137 Da
Monoisotopic Mass
234.137 Da
Topological Polar Surface Area
55.600 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
277.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
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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