N-Nitroso-N-methylurea

CAT: 0607-BA3917-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA3917-5.1Size:1 mL (10 mM in DMSO)

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CAS Number

684-93-5

Form

A solid

Molecular Formula

C2H5N3O2

Molecular Weight

103.08

Shipping Conditions

Blue ice

Storage Conditions

-20°C, protect from light.

Chemical Information

N-Methyl-N-nitrosourea

N-Nitroso-N-methylurea can cause cancer according to an independent committee of scientific and health experts.

CAS Number	684-93-5
PubChem CID	12699
IUPAC Name	1-methyl-1-nitrosourea
Molecular Formula	C2H5N3O2
Molecular Weight	103.08
XLogP	0
Topological Polar Surface Area	75.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	90

SMILES

CN(C(=O)N)N=O

InChI

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

InChIKey

ZRKWMRDKSOPRRS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 684-93-5

CID: 12699

Formula: C2H5N3O2

MW: 103.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	103.08
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	103.038176411
Monoisotopic Mass	103.038176411
Topological Polar Surface Area	75.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	90.9
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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C8732-100	N, N'-Dinitrosopiperazine
C8732-50	N, N'-Dinitrosopiperazine
C8732-10	N, N'-Dinitrosopiperazine
C8732-5	N, N'-Dinitrosopiperazine

Catalog	Name
T4169-01	N-Nitroso-N-methylurea
HY-W717139	N-Nitroso-N-methylurea-d5
HY-34758R-01	N-Nitroso-N-methylurea (Standard)
TRC-M338175-5G	N-Methylurea
OR30353	N-acetyl-N'-methylurea
A09320	N-Acetyl-N-Methylurea
TRC-M338177-10MG	N-Methylurea-d6
PC200471	N- (3-Fluorophenyl) -N'-methylurea
sc-354678A	N- (4-aminophenyl) -N'-methylurea