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19704-03-1 molecular structure
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2-amino-N'-[(benzyloxy)carbonyl]acetohydrazide; trifluoroacetic acid

ChemBase ID: 130913
Molecular Formular: C12H14F3N3O5
Molecular Mass: 337.2518696
Monoisotopic Mass: 337.08855522
SMILES and InChIs

SMILES:
c1ccc(cc1)COC(=O)NNC(=O)CN.C(=O)(C(F)(F)F)O
Canonical SMILES:
OC(=O)C(F)(F)F.NCC(=O)NNC(=O)OCc1ccccc1
InChI:
InChI=1S/C10H13N3O3.C2HF3O2/c11-6-9(14)12-13-10(15)16-7-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5H,6-7,11H2,(H,12,14)(H,13,15);(H,6,7)
InChIKey:
ZYWUIPUGRJNRCM-UHFFFAOYSA-N

Cite this record

CBID:130913 http://www.chembase.cn/molecule-130913.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-N'-[(benzyloxy)carbonyl]acetohydrazide; trifluoroacetic acid
IUPAC Traditional name
2-amino-N'-[(benzyloxy)carbonyl]acetohydrazide; trifluoroacetic acid
Synonyms
Gly-NHNH-Cbz
(Z-Hydrazido)glycine trifluoroacetate salt
CAS Number
19704-03-1
MDL Number
MFCD00058603
PubChem SID
162225191
PubChem CID
56777296

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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Data Source Data ID
PubChem 56777296 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 10.0712185  H Acceptors
H Donor LogD (pH = 5.5) -2.3414447 
LogD (pH = 7.4) -0.6780018  Log P -0.20010328 
Molar Refractivity 56.9277 cm3 Polarizability 22.367304 Å3
Polar Surface Area 93.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Storage Temperature
-20°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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