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2-Cyclohexyl-2-methoxyethan-1-amine

CAT: 0926-TJC31487-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-TJC31487-01Size:100 mg
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CAS Number
1493314-87-6
MDL Number
MFCD21684632
Smiles
COC (CN) C1CCCCC1
Molecular Formula
C9H19NO
Molecular Weight
157.25 g/mol
Controlled
No

Chemical Information

2-Cyclohexyl-2-methoxyethan-1-amine
CAS Number1493314-87-6
PubChem CID57016644
IUPAC Name2-cyclohexyl-2-methoxyethanamine
Molecular FormulaC9H19NO
Molecular Weight157.25
XLogP1.6
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count11
Formal Charge0
Complexity99
SMILES
COC(CN)C1CCCCC1
InChI
InChI=1S/C9H19NO/c1-11-9(7-10)8-5-3-2-4-6-8/h8-9H,2-7,10H2,1H3
InChIKey
SAGXQEXZNLAHBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclohexyl-2-methoxyethan-1-amine
CAS: 1493314-87-6
CID: 57016644
Formula: C9H19NO
MW: 157.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight157.25
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass157.146664230
Monoisotopic Mass157.146664230
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity99.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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