N-(BENZYLOXYCARBONYL)GLYCINE HYDRAZIDE - ≥95% , CAS No.5680-83-1

CAS: 5680-83-1 Cat. No.: N171026 Molecular Weight: 223.233

GRADE & PURITY ≥95%

Synonyms

Benzyl 2-hydrazino-2-oxoethylcarbamate # | CARBOBENZOXYGLYCINE HYDRAZIDE | benzyl(2-hydrazino-2-oxoethyl)carbamate | Glycine, N-((phenylmethoxy)carbonyl)-, hydrazide | FT-0635804 | P2UWH6Q5YX | N-Cbz-glycine hydrazide | UNII-P2UWH6Q5YX | Pyrimidine base |

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

Benzyl 2-hydrazino-2-oxoethylcarbamate # | CARBOBENZOXYGLYCINE HYDRAZIDE | benzyl(2-hydrazino-2-oxoethyl)carbamate | Glycine, N-((phenylmethoxy)carbonyl)-, hydrazide | FT-0635804 | P2UWH6Q5YX | N-Cbz-glycine hydrazide | UNII-P2UWH6Q5YX | Pyrimidine base |

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)COC(=O)NCC(=O)NN
• IUPAC Name: benzyl N-(2-hydrazinyl-2-oxoethyl)carbamate
• InChIKey: FBXJOIKPPWLCJU-UHFFFAOYSA-N
• INCHI: 1S/C10H13N3O3/c11-13-9(14)6-12-10(15)16-7-8-4-2-1-3-5-8/h1-5H,6-7,11H2,(H,12,15)(H,13,14)
• Isomeric SMILES: C1=CC=C(C=C1)COC(=O)NCC(=O)NN
• Molecular Weight: 223.233
• Reaxy-Rn: 2057227
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2057227&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Alpha amino acids and derivatives Carbamate esters Organic carbonic acids and derivatives Carboxylic acid hydrazides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Carbamic acid ester - Carboxylic acid hydrazide - Carbonic acid derivative - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic 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.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 223.230 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 223.096 Da
• Monoisotopic Mass: 223.096 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 239.000
• 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