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1190-92-7 molecular structure
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dimethyl(2-nitroethenyl)amine

ChemBase ID: 10003
Molecular Formular: C4H8N2O2
Molecular Mass: 116.11852
Monoisotopic Mass: 116.05857751
SMILES and InChIs

SMILES:
CN(C)/C=C/[N+](=O)[O-]
Canonical SMILES:
CN(/C=C/[N+](=O)[O-])C
InChI:
InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3/b4-3+
InChIKey:
JKOVQYWMFZTKMX-ONEGZZNKSA-N

Cite this record

CBID:10003 http://www.chembase.cn/molecule-10003.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl(2-nitroethenyl)amine
dimethyl[(E)-2-nitroethenyl]amine
IUPAC Traditional name
dimethyl(2-nitroethenyl)amine
dimethyl[(E)-2-nitroethenyl]amine
Synonyms
1-Dimethylamino-2-nitroethylene
N,N-Dimethyl-2-nitroethyleneamine
1-(Dimethylamino)-2-nitroethylene
N1,N1-dimethyl-2-nitroeth-1-en-1-amine
N,N-Dimethyl-2-nitroethenamine
1-(Dimethylamino)-2-nitroethylene 98%
1-Dimethylamino-2-nitroethylene
1-二甲基氨基-2-硝基乙烯
N,N-二甲基-2-硝基亚乙基胺
1-二甲氨基-2-硝基乙烯
CAS Number
1190-92-7
EC Number
000-000-0
MDL Number
MFCD00051519
Beilstein Number
1903136
PubChem SID
24882525
160973310
PubChem CID
637928

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.11538854 
LogD (pH = 7.4) 0.12146595  Log P 0.12154399 
Molar Refractivity 28.9801 cm3 Polarizability 10.9636965 Å3
Polar Surface Area 46.38 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
101-105°C expand Show data source
103-105°C expand Show data source
103-107 °C(lit.) expand Show data source
Storage Warning
IRRITANT, KEEP COLD expand Show data source
Irritant/Keep Cold expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-37/38-41-43 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-36/37/39-45 expand Show data source
26-37 expand Show data source
TSCA Listed
false expand Show data source
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
H302-H315-H317-H318-H335 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P280-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C4H8N2O2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 632902 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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