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Home Other Building Blocks [4-(2H-1,3-benzodioxol-5-yl)oxan-4-yl]methanamine

[4-(2H-1,3-benzodioxol-5-yl)oxan-4-yl]methanamine

CAS No.:
1152568-81-4
Catalog Number:
AG019X8L
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
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Product Description
Catalog Number:
AG019X8L
Chemical Name:
[4-(2H-1,3-benzodioxol-5-yl)oxan-4-yl]methanamine
CAS Number:
1152568-81-4
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
MDL Number:
MFCD10691327
IUPAC Name:
[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methanamine
InChI:
InChI=1S/C13H17NO3/c14-8-13(3-5-15-6-4-13)10-1-2-11-12(7-10)17-9-16-11/h1-2,7H,3-6,8-9,14H2
InChI Key:
CHEZMMVHADBLRW-UHFFFAOYSA-N
SMILES:
NCC1(CCOCC1)c1ccc2c(c1)OCO2
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties