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(1-Ethylcyclooctyl) methanamine

CAT: 0926-DKC87280-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DKC87280-01Size:50 mg
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CAS Number
1503872-80-7
MDL Number
MFCD23945085
Smiles
CCC1 (CCCCCCC1) CN
Molecular Formula
C11H23N
Molecular Weight
169.3 g/mol
Controlled
No

Chemical Information

(1-Ethylcyclooctyl)methanamine
CAS Number1503872-80-7
PubChem CID80604065
IUPAC Name(1-ethylcyclooctyl)methanamine
Molecular FormulaC11H23N
Molecular Weight169.31
XLogP3.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity112
SMILES
CCC1(CCCCCCC1)CN
InChI
InChI=1S/C11H23N/c1-2-11(10-12)8-6-4-3-5-7-9-11/h2-10,12H2,1H3
InChIKey
CKOUFYLSWNIFNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (1-Ethylcyclooctyl)methanamine
CAS: 1503872-80-7
CID: 80604065
Formula: C11H23N
MW: 169.31
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.31
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass169.183049738
Monoisotopic Mass169.183049738
Topological Polar Surface Area26 Ų
Heavy Atom Count12
Formal Charge0
Complexity112
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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