1-Hexylurea

CAT: 0127-OR1060321-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1060321-02Size:250 mg

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CAS Number

2158-11-4

Purity

98%

Smiles

O=C(N)NCCCCCC

Chemical Information

Hexylurea

CAS Number	2158-11-4
PubChem CID	75092
IUPAC Name	hexylurea
Molecular Formula	C7H16N2O
Molecular Weight	144.21
XLogP	1.5
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	93

SMILES

CCCCCCNC(=O)N

InChI

InChI=1S/C7H16N2O/c1-2-3-4-5-6-9-7(8)10/h2-6H2,1H3,(H3,8,9,10)

InChIKey

JUVJQIPDVWOVNP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2158-11-4

CID: 75092

Formula: C7H16N2O

MW: 144.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.21
XLogP3	1.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	144.126263138
Monoisotopic Mass	144.126263138
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	93.6
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
BUP12620-01	1,1,1,1-Kestohexaose
OR312388	1-Phenylbicyclo[1.1.1]pentane
OR300179	1-Isothiocyanatobicyclo[1.1.1]pentane
OR300174	1-Isocyanatobicyclo[1.1.1]pentane
OR1044052-01	1,1,1-Trimethoxypropane
PC2909	1,1,1-Trifluorobutane
PC7819M-01	1,1,1-Trifluoropropane
OR305626	1,1,1-Triphenylsilanamine
PC01657-01	1,1,1-Trifluorohexane
PC106393	1,1,1-Trifluorodecane

Catalog	Name
297272-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose
112040	1,1,1,1-Kestohexose
410417-01	1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
IFA69273-01	1-Iodobicyclo[1.1.1]pentane
GTR19217879-01	AMPK-α1β1γ1 activator 1
DFA88480-01	1-Bromobicyclo[1.1.1]pentane
AAA91800	1,1,1-Trichloroacetone
HY-133623	1,1,1-Tribromoacetone
410424-01	1,1,1-Trifluoroacetone