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Molecule
ID:89345
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂H₆N₂O₂
Molecular Mass
90.08124
Exact Mass
90.04292744
Charge
0
InChI
InChI=1S/C2H6N2O2/c1-6-2(5)4-3/h3H2,1H3,(H,4,5)
InChIKey
WFJRIDQGVSJLLH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)NN
Isomeric Smiles
O(C)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.785743
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.70817196
LogD (pH = 7.4)
-0.7074833
Log P
-0.70747286
Molar Refractivity
20.5736
Polarizability
7.860245
Polar Surface Area
64.35
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
•
RDKit
•
JChem
Data Source
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Commercial Catalog
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Academic Data
Names and Identifiers
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Synonyms
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IUPAC Traditional name
•
IUPAC name
Registration numbers
Properties
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Physical Property
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
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Sigma Aldrich
References
•
PubChem Literature
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From Data Sources
Bioactivity
•
PubChem BioAssay
Data Source
Commercial Catalog
InterBioScreen
BB_SC-7168
Sigma Aldrich
151653
Apollo Scientific
OR4850
Alfa Aesar
A14548
Academic Data
PubChem
80519
Names and Identifiers
Synonyms
Methyl carbazate
Methoxycarbonylhydrazine
Methyl hydrazinocarboxylate
甲氧基羰酰肼
卡巴肼甲酯
肼基甲酸甲酯
methyl hydrazinecarboxylate
Methyl carbazate
Methyl carbazate
Methyl hydrazinocarboxylate
IUPAC Traditional name
methoxycarbohydrazide
IUPAC name
methoxycarbohydrazide
Registration numbers
PubChem SID
24849157
162076225
MDL Number
MFCD00007594
EC Number
228-560-3
CAS Number
6294-89-9
PubChem CID
80519
Beilstein Number
1679395
Molecule Details
Sigma Aldrich
151653
Packaging
100, 500 g in poly bottle
References
PubChem Literature
From Data Sources
•
Alternatively, reaction of the diazene intermediate with MeI and LiOMe yields the ɑ-methylnitrile:
J. Org. Chem.
,
42
, 2001 (1977).
•
Can be used in a sequence for converting ketones to homologated nitriles:
Org. Synth. Coll
:,
6
, 334 (1988):
Bioactivity
PubChem BioAssay
Registration numbers
•
PubChem SID
•
MDL Number
•
EC Number
•
CAS Number
•
PubChem CID
•
Beilstein Number
Properties
Physical Property
Boiling Point
108°C/12mm
Source
108 °C/12 mmHg(lit.)
Source
Melting Point
70-73°C
Source
70-73 °C(lit.)
Source
70-73°C
Source
Safety Information
European Hazard Symbols
Irritant (Xi)
Source
Toxic (T)
Source
GHS Pictograms
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
Source
Acute toxicity (oral, dermal, inhalation), categories 1,2,3
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Source
GHS Signal Word
Warning
Source
Risk Statements
36/37/38
Source
25
-
36/37/38
Source
German water hazard class
3
Source
GHS Hazard statements
H315
-
H319
-
H335
Source
H301
-
H315
-
H319
-
H335
Source
GHS Precautionary statements
P261
-
P305+P351+P338
Source
P261
-
P301+P310
-
P305+P351+P338
-
P302+P352
-
P405
-P501A
Source
MSDS Link
Download link
Source
Safety Statements
26
-
37/39
Source
26
-
36/37
-
45
Source
Hazard Class
6.1
Source
UN Number
UN2811
Source
Packing Group
III
Source
TSCA Listed
是
Source
Product Information
Purity
97%
Source
98%
Source
Linear Formula
H2NNHCO2CH3
Source
Source