Cyclooctylurea

CAT: 0127-BUP23477-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP23477-02Size:10 mg

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CAS Number

2191-67-5

Purity

≥95%

Smiles

NC (=O) NC1CCCCCCC1

Chemical Information

Cyclooctylurea

N-cyclooctylurea is a member of ureas.

CAS Number	2191-67-5
PubChem CID	294524
IUPAC Name	cyclooctylurea
Molecular Formula	C9H18N2O
Molecular Weight	170.25
XLogP	1.9
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	139

SMILES

C1CCCC(CCC1)NC(=O)N

InChI

InChI=1S/C9H18N2O/c10-9(12)11-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H3,10,11,12)

InChIKey

DQNHNVJSWPPXFY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2191-67-5

CID: 294524

Formula: C9H18N2O

MW: 170.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.25
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	170.141913202
Monoisotopic Mass	170.141913202
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	139
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
GTR19252714-01	Cyclooctylurea