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2-Cyclohexyl-2-methoxypropan-1-amine

CAT: 0926-RJC35597-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-RJC35597-01Size:50 mg
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CAS Number
1491355-97-5
MDL Number
MFCD21684734
Smiles
CC (CN) (C1CCCCC1) OC
Molecular Formula
C10H21NO
Molecular Weight
171.28 g/mol
Controlled
No

Chemical Information

2-Cyclohexyl-2-methoxypropan-1-amine
CAS Number1491355-97-5
PubChem CID66072797
IUPAC Name2-cyclohexyl-2-methoxypropan-1-amine
Molecular FormulaC10H21NO
Molecular Weight171.28
XLogP1.8
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity132
SMILES
CC(CN)(C1CCCCC1)OC
InChI
InChI=1S/C10H21NO/c1-10(8-11,12-2)9-6-4-3-5-7-9/h9H,3-8,11H2,1-2H3
InChIKey
XHAYMRXKYHUSIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclohexyl-2-methoxypropan-1-amine
CAS: 1491355-97-5
CID: 66072797
Formula: C10H21NO
MW: 171.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight171.28
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass171.162314293
Monoisotopic Mass171.162314293
Topological Polar Surface Area35.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity132
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