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cis-3-(cbz-amino)-4-hydroxypyrrolidine - 97%, high purity , CAS No.1262409-44-8
Discover cis-3-(cbz-amino)-4-hydroxypyrrolidine by Aladdin Scientific in 97% for only $1,869.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
1262409-44-8 | Benzyl cis-4-hydroxypyrrolidin-3-ylcarbamate | Benzyl (cis-4-hydroxypyrrolidin-3-yl)carbamate | cis-3-(cbz-amino)-4-hydroxypyrrolidine | BENZYL N-[(3S,4R)-4-HYDROXYPYRROLIDIN-3-YL]CARBAMATE | cis-Benzyl (4-hydroxypyrrolidin-3-yl)carbamate | Carbamic 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
Pyrrolidines Carbamate esters Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyloxycarbonyl - Pyrrolidine - Carbamic acid ester - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - 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 N-[(3S,4R)-4-hydroxypyrrolidin-3-yl]carbamate
INCHI
InChI=1S/C12H16N2O3/c15-11-7-13-6-10(11)14-12(16)17-8-9-4-2-1-3-5-9/h1-5,10-11,13,15H,6-8H2,(H,14,16)/t10-,11+/m0/s1
InChIKey
XFRZHUKQUUVRFG-WDEREUQCSA-N
Smiles
C1C(C(CN1)O)NC(=O)OCC2=CC=CC=C2
Isomeric SMILES
C1[C@@H]([C@@H](CN1)O)NC(=O)OCC2=CC=CC=C2
Molecular Weight
236.271
Reaxy-Rn
41881827
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=41881827&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
236.270 g/mol
XLogP3
0.200
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
236.116 Da
Monoisotopic Mass
236.116 Da
Topological Polar Surface Area
70.600 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
254.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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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