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1-(Dimethylamino)-2-nitroethylene

1-(Dimethylamino)-2-nitroethylene - CAS 1190-92-7

Catalog:	BB004406
Product Name:	1-(Dimethylamino)-2-nitroethylene
CAS:	1190-92-7
Synonyms:	(E)-N,N-dimethyl-2-nitroethenamine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(E)-N,N-dimethyl-2-nitroethenamine
Description:	1-(Dimethylamino)-2-nitroethylene (CAS# 1190-92-7) is a useful research chemical.
Molecular Weight:	116.12
Molecular Formula:	C4H8N2O2
Canonical SMILES:	CN(C)C=C[N+](=O)[O-]
InChI:	InChI=1S/C4H8N2O2/c1-5(2)3-4-6(7)8/h3-4H,1-2H3/b4-3+
InChI Key:	JKOVQYWMFZTKMX-ONEGZZNKSA-N
Boiling Point:	161.1 °C at 760 mmHg
Purity:	95 %
Density:	1.073 g/cm³
MDL:	MFCD00051519
LogP:	0.81910

Publication Number	Title	Priority Date
CN-113480489-A	Isoxazole biphenyl compound and preparation method and application thereof	20210819
WO-2021154663-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127
WO-2021154664-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127
WO-2021154668-A1	1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS	20200127
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204

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GHS Hazard Statement:	H302 (94.66%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	116.058577502
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	116.058577502
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8