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40711-41-9 molecular structure
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butyl (hydrazinecarbonyl)formate

ChemBase ID: 111933
Molecular Formular: C6H12N2O3
Molecular Mass: 160.17108
Monoisotopic Mass: 160.08479225
SMILES and InChIs

SMILES:
CCCCOC(=O)C(=O)NN
Canonical SMILES:
CCCCOC(=O)C(=O)NN
InChI:
InChI=1S/C6H12N2O3/c1-2-3-4-11-6(10)5(9)8-7/h2-4,7H2,1H3,(H,8,9)
InChIKey:
HWZJMBLURIBTRJ-UHFFFAOYSA-N

Cite this record

CBID:111933 http://www.chembase.cn/molecule-111933.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butyl (hydrazinecarbonyl)formate
IUPAC Traditional name
butyl (hydrazinecarbonyl)formate
Synonyms
Butyl Hydrazine Ethanedioate
n-BUTYL HYDRAZINE OXALATE
CAS Number
40711-41-9
EC Number
255-050-8
PubChem SID
162097143
PubChem CID
44135786

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05221778 external link Add to cart Please log in.
Data Source Data ID
PubChem 44135786 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.810417  H Acceptors
H Donor LogD (pH = 5.5) 0.3355852 
LogD (pH = 7.4) 0.33445966  Log P 0.3359565 
Molar Refractivity 39.3876 cm3 Polarizability 15.274739 Å3
Polar Surface Area 81.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05221778 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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