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N-Nitroso Urea

CAT: 1596-AR-U01385-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-U01385-02Size:25 Units
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CAS Number
13010-20-3
Molecular Formula
CH3N3O2
Molecular Weight
89.05
API Name
Urea

Chemical Information

Nitrosourea

Nitrosourea Compound is any of a class of alkylating agents that contain both a nitroso group and a urea. They are lipophilic and can cross the blood-brain barrier.

CAS Number13010-20-3
PubChem CID105035
IUPAC Namenitrosourea
Molecular FormulaCH3N3O2
Molecular Weight89.05
XLogP-0.8
Topological Polar Surface Area84.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity69
SMILES
C(=O)(N)NN=O
InChI
InChI=1S/CH3N3O2/c2-1(5)3-4-6/h(H3,2,3,5,6)
InChIKey
OSTGTTZJOCZWJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrosourea
CAS: 13010-20-3
CID: 105035
Formula: CH3N3O2
MW: 89.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight89.05
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass89.022526347
Monoisotopic Mass89.022526347
Topological Polar Surface Area84.6 Ų
Heavy Atom Count6
Formal Charge0
Complexity69.2
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
M3526-90-01N-Methyl-N-nitroso-urea discontinued
459455-01N-Methyl-N-nitroso Urea-d6
TRC-M325815-5GN-Methyl-N-nitroso Urea (Wetted with water >20%)
TRC-M325817-25MGN-Methyl-N-nitroso Urea-d5 (Wetted with water >20%)
282800-01N-Methyl-N-nitroso urea discontinued. See M3526-90
TRC-N545750-10GN-Nitroso-N-propyl Urea, Contains 40% Water, ~2% Acetic Acid
TRC-N526100-5GN-Nitroso-N-ethyl Urea, Contains 40% water, 1.8 % AcOH
U8390-01Urea-¹⁵N₂
165524N, N-Dimethylamidino) Urea
TRC-D471205-25MGN,N-Dimethylamidino Urea

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