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5331-43-1 molecular structure
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(benzyloxy)carbohydrazide

ChemBase ID: 91832
Molecular Formular: C8H10N2O2
Molecular Mass: 166.1772
Monoisotopic Mass: 166.07422757
SMILES and InChIs

SMILES:
O(C(=O)NN)Cc1ccccc1
Canonical SMILES:
NNC(=O)OCc1ccccc1
InChI:
InChI=1S/C8H10N2O2/c9-10-8(11)12-6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
InChIKey:
RXUBZLMIGSAPEJ-UHFFFAOYSA-N

Cite this record

CBID:91832 http://www.chembase.cn/molecule-91832.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(benzyloxy)carbohydrazide
IUPAC Traditional name
benzyloxycarbohydrazide
Synonyms
Benzyl carbazate
Benzyl hydrazinecarboxylate
Hydrazine, N-CBZ protected
(Benzyloxycarbonyl)hydrazine
Z-hydrazine
Benzyl carbazate
Carbazic Acid Benzyl Ester
Benzyl Hydrazinocarboxylate
Benzyloxycarbonyl Hydrazide
Carbobenzoxyhydrazide
Carbobenzyloxyhydrazine
Hydrazincarboxylic Acid Benzyl Ester
Hydrazinecarboxylic Acid Benzyl Ester
NSC 2287
[(Benzyloxy)carbonyl]hydrazine
Benzyl Carbazate
Benzyl hydrazinecarboxylate
Benzyloxycarbonylhydrazine
苄基肼基甲酸酯
苄氧羰基肼
肼基甲酸苄酯
CAS Number
5331-43-1
EC Number
226-230-3
MDL Number
MFCD00041890
Beilstein Number
1952982
PubChem SID
24850430
162078530
24873300
PubChem CID
79242

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.83004  H Acceptors
H Donor LogD (pH = 5.5) 1.0163039 
LogD (pH = 7.4) 1.0169901  Log P 1.0170002 
Molar Refractivity 45.1862 cm3 Polarizability 17.341331 Å3
Polar Surface Area 64.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Beige Solid expand Show data source
Melting Point
63-67°C expand Show data source
65-68 °C(lit.) expand Show data source
65-70°C expand Show data source
66-70°C expand Show data source
67-70 °C expand Show data source
Flash Point
110 °C expand Show data source
110°C expand Show data source
230 °F expand Show data source
Storage Condition
Refrigerator expand Show data source
Storage Warning
Irritant/Corrosive/Moisture Sensitive/Store under Argon expand Show data source
RTECS
MV1724950 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
37/38-41 expand Show data source
41 expand Show data source
Safety Statements
26-36 expand Show data source
26-37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H318 expand Show data source
H318-H315-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P280-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (HPLC) expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Linear Formula
H2NNHCO2CH2C6H5 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 499781 external link
Packaging
5, 25 g in glass bottle
Toronto Research Chemicals - B233620 external link
Benzyl Carbazate has been shown to prevent the occurrence of oligonucleosome-sized DNA fragmentation in the cell-free system.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Sane, A.-T. et al.: Cancer Res., 58, 3066 (1998)
  • • Reagent for preparation of benzyloxycarbonyl (Z, Cbz) hydrazides of carboxylic acids, particularly N-protected amino acids. Subsequent hydrogenolysis gives the hydrazide which can be converted to the azide for coupling with a further amino acid residue by the azide method: J. Am. Chem. Soc., 74, 470 (1952); 87, 620 (1965); see Appendix 6:
  • • Has also been used in a similar manner for the preparation of simple acyl or sulfonyl hydrazides avoiding diacylation; the residual benzyl group is removable by hydrogenolysis: Synthesis, 244 (1980).
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PATENTS

PATENTS

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INTERNET

INTERNET

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