3-methyl-3-nitrosourea

3-methyl-3-nitrosourea

CAS: 684-93-5

Formula: C2H5N3O2

SMILES: CN(N=O)C(N)=O

IUPAC: 3-methyl-3-nitrosourea

InChI: InChI=1S/C2H5N3O2/c1-5(4-7)2(3)6/h1H3,(H2,3,6)

Composition: C (23.30%), H (4.89%), N (40.77%), O (31.04%)

Molar Mass: 103.081

Atom Count: 12

Heavy Atom Count: 7

Properties

Properties

Common Names	1-methyl-1-nitrosomocovina; MNU; N-methyl-N-nitroso-harnstoff; N-methyl-N-nitrosoharnstoff; N-methyl-N-nitrosouree; N-nitroso-N-methyl-harnstoff; N-nitroso-N-methylharnstoff; N-nitroso-N-methyluree; NMH; NMU; O-nitroso-N-methyl-harnstoff; ccris 404; methylnitroso-harnstoff; methylnitrosoharnstoff; methylnitrosouree; rcra waste number U177
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	103.038176413
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ZRKWMRDKSOPRRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	23.4
Topological Polar Surface Area	75.76
Polarizability	8.05
Ring Count	0
Rotatable Bond Count	1

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