Home Other Building Blocks N-cyclohexyl-2H-1,3-benzodioxol-5-amine

N-cyclohexyl-2H-1,3-benzodioxol-5-amine

CAS No.:
176905-99-0
Catalog Number:
AG01A29P
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
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Product Description
Catalog Number:
AG01A29P
Chemical Name:
N-cyclohexyl-2H-1,3-benzodioxol-5-amine
CAS Number:
176905-99-0
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD00981084
IUPAC Name:
N-cyclohexyl-1,3-benzodioxol-5-amine
InChI:
InChI=1S/C13H17NO2/c1-2-4-10(5-3-1)14-11-6-7-12-13(8-11)16-9-15-12/h6-8,10,14H,1-5,9H2
InChI Key:
ZOOXQEMVSQUQSS-UHFFFAOYSA-N
SMILES:
C1CCC(CC1)Nc1ccc2c(c1)OCO2
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties