(Cyclohexylmethyl) urea

CAT: 0926-FAA47236-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FAA47236-02Size:5 g

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CAS Number

5472-36-6

MDL Number

MFCD00086788

Smiles

C1CCC (CC1) CNC (=O) N

Molecular Formula

C8H16N2O

Molecular Weight

156.23 g/mol

Controlled

Chemical Information

(Cyclohexylmethyl)urea

CAS Number	5472-36-6
PubChem CID	231498
IUPAC Name	cyclohexylmethylurea
Molecular Formula	C8H16N2O
Molecular Weight	156.23
XLogP	1.3
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	130

SMILES

C1CCC(CC1)CNC(=O)N

InChI

InChI=1S/C8H16N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h7H,1-6H2,(H3,9,10,11)

InChIKey

DZLLYADKCHLBMB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5472-36-6

CID: 231498

Formula: C8H16N2O

MW: 156.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.23
XLogP3	1.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	156.126263138
Monoisotopic Mass	156.126263138
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	130
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
CCA39566	Cyclohexylmethyl isothiocyanate
DAA63758	(Cyclohexylmethyl) hydrazine hydrochloride
DAA30927-01	Bis (cyclohexylmethyl) amine
HAA61585-01	N- (Cyclohexylmethyl) cyclopropanamine
ABA75629	(Cyclohexylmethyl) (methyl) amine
KCA60174-01	2- (Cyclohexylmethyl) pyrrolidine
WDC64718	Potassium cyclohexylmethyl trifluoroborate
FC154548-01	1- (Cyclohexylmethyl) piperazine
HMC01725-01	(Cyclohexylmethyl) (ethoxy) amine
CXB31900	(Cyclohexylmethyl) hydrazine dihydrochloride

Catalog	Name
OR1070536-01	Cyclohexylmethyl cyclohexanecarboxylate
OR939832-01	Cyclohexylmethyl acetate
445320	Cyclohexylmethyl Mesylate
sc-234463	Cyclohexylmethyl isothiocyanate
6099-86-1	Cyclohexylmethyl chloroformate
OR17116	Cyclohexylmethyl methanesulphonate
414136-01	2- (Cyclohexylmethyl) pyrrolidine
TRC-C986300-1G	Cyclohexylmethyl Heptyl Sulfite
sc-330467	N- (Cyclohexylmethyl) cyclopentanamine
sc-353168	(Cyclohexylmethyl) hydrazine dihydrochloride