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N-Nitrosodiethylamine

CAT: 0957-E0136-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0957-E0136-01Size:1 g
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Description
N-Nitrosodiethylamine (N-Nitroso-diethylamine, NDEA, diethylnitrosamine, DEN) is DNA reactive after bioactivation and produces tumors in many animal species.N-Nitrosodiethylamine can be used to induce animal models of Lung Carcinoma.
CAS Number
55-18-5
Synonyms
N-Nitroso-diethylamine, NDEA, diethylnitrosamine, DEN
Target
Others
Activity
Others
Molecular Formula
C4H10N2O
Storage Conditions
2 years -20°C liquid

Chemical Information

N-Nitrosodiethylamine

n-Nitrosodiethylamine can cause cancer according to an independent committee of scientific and health experts.

CAS Number55-18-5
PubChem CID5921
IUPAC NameN,N-diethylnitrous amide
Molecular FormulaC4H10N2O
Molecular Weight102.14
XLogP0.5
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity51
SMILES
CCN(CC)N=O
InChI
InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
InChIKey
WBNQDOYYEUMPFS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitrosodiethylamine
CAS: 55-18-5
CID: 5921
Formula: C4H10N2O
MW: 102.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight102.14
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass102.079312947
Monoisotopic Mass102.079312947
Topological Polar Surface Area32.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity51.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-N525465-1GN-Nitrosodiethylamine
HY-N7434SN-Nitrosodiethylamine-d4
AR-L01832-01N-Nitrosodiethylamine-d10
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