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40711-41-9 molecular structure
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butylhydrazine; oxalic acid

ChemBase ID: 152570
Molecular Formular: C6H14N2O4
Molecular Mass: 178.18636
Monoisotopic Mass: 178.09535694
SMILES and InChIs

SMILES:
CCCCNN.C(=O)(C(=O)O)O
Canonical SMILES:
OC(=O)C(=O)O.CCCCNN
InChI:
InChI=1S/C4H12N2.C2H2O4/c1-2-3-4-6-5;3-1(4)2(5)6/h6H,2-5H2,1H3;(H,3,4)(H,5,6)
InChIKey:
WXOBLSRQYOWIBF-UHFFFAOYSA-N

Cite this record

CBID:152570 http://www.chembase.cn/molecule-152570.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
butylhydrazine; oxalic acid
IUPAC Traditional name
butylhydrazine; oxalic acid
Synonyms
Butylhydrazine oxalate salt
丁基肼 草酸盐
CAS Number
40711-41-9
EC Number
255-050-8
MDL Number
MFCD00043289
Beilstein Number
3704357
PubChem SID
162246715
24851939
PubChem CID
162021

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
19980 external link Add to cart Please log in.
Data Source Data ID
PubChem 162021 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.027246254  LogD (pH = 7.4) 0.50261855 
Log P 0.5137847  Molar Refractivity 38.7693 cm3
Polarizability 10.95869 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
160-165 °C expand Show data source
RTECS
MV0840000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
2 expand Show data source
Risk Statements
21/22 expand Show data source
Safety Statements
24/25 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H312 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 2811 6.1/PG 2 expand Show data source
Purity
≥98.0% (T) expand Show data source
Linear Formula
CH3(CH2)3NHNH2 · (COOH)2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 19980 external link
Other Notes
Sales restrictions may apply
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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