1,3-Dimethylurea

CAT: 0127-OR1009202-01Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR1009202-01Size:500 g

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CAS Number

96-31-1

MDL Number

MFCD00008286

Purity

95%

Smiles

CNC(=O)NC

Chemical Information

N,N'-Dimethylurea

N,N'-dimethylurea is a member of the class of ureas that is urea substituted by methyl groups at positions 1 and 3.

CAS Number	96-31-1
PubChem CID	7293
IUPAC Name	1,3-dimethylurea
Molecular Formula	C3H8N2O
Molecular Weight	88.11
XLogP	-0.5
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	6
Formal Charge	0
Complexity	46

SMILES

CNC(=O)NC

InChI

InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6)

InChIKey

MGJKQDOBUOMPEZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 96-31-1

CID: 7293

Formula: C3H8N2O

MW: 88.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	88.11
XLogP3	-0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	88.063662883
Monoisotopic Mass	88.063662883
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	6
Formal Charge	0
Complexity	46.8
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
OR1043762-01	1-Butyl-3,3-dimethylurea
OR15986	3- (Carbamimidoyl) -1,1-dimethylurea
OR48247-01	1,1-Dimethylurea
BUP23376-01	3- (2,3-Dichlorophenyl) -1,1-dimethylurea
DE2066	1,1-Dimethylurea-D6
OR1102078-01	3- (3- (Aminomethyl) phenyl) -1,1-dimethylurea hydrochloride
OR1102079	3- (4- (Aminomethyl) phenyl) -1,1-dimethylurea
OR1098091-01	N'- (4-Bromophenyl) -N, N-dimethylurea
OR89209	N'-[4- (4-Bromo-1-ethyl-1H-pyrazol-3-yl) phenyl]-N, N-dimethylurea
BUP14718	1,3-Dimethyluric acid

Catalog	Name
RG-A262524-01	1,3-Dimethylurea
13422-22	1,3-Dimethylurea (sym.)
B28558	1-Butyl-3 3-Dimethylurea
42009-01	N, N-Dimethylurea (1,3-Dimethylurea) extrapure, 99%
JCA22654-01	1-Benzyl-1,3-dimethylurea
274682-01	1,3-Dimethoxy-1,3-dimethylurea
TRC-C609785-500MG	3-(3-Chlorophenyl)-1,1-dimethylurea
RG-A261286-01	1,3-Diethyl-1,3-Dimethylurea
GBA46812-01	3-Cyclohexyl-1,1-dimethylurea
VLC16109-01	1- (3-Aminophenyl) -1,3-dimethylurea