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3- (Cyclopentyloxy) -2-methylaniline

CAT: 0926-EWB90964-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-EWB90964-01Size:250 mg
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CAS Number
1154909-64-4
MDL Number
MFCD12170012
Smiles
CC1=C (C=CC=C1OC2CCCC2) N
Molecular Formula
C12H17NO
Molecular Weight
191.27 g/mol
Controlled
No

Chemical Information

3-(Cyclopentyloxy)-2-methylaniline
CAS Number1154909-64-4
PubChem CID43437901
IUPAC Name3-cyclopentyloxy-2-methylaniline
Molecular FormulaC12H17NO
Molecular Weight191.27
XLogP2.8
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity177
SMILES
CC1=C(C=CC=C1OC2CCCC2)N
InChI
InChI=1S/C12H17NO/c1-9-11(13)7-4-8-12(9)14-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,13H2,1H3
InChIKey
KBMNYLKZJZHITK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Cyclopentyloxy)-2-methylaniline
CAS: 1154909-64-4
CID: 43437901
Formula: C12H17NO
MW: 191.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.27
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass191.131014166
Monoisotopic Mass191.131014166
Topological Polar Surface Area35.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity177
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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