Home Other Building Blocks (2-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methanamine

(2-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methanamine

CAS No.:
802851-07-6
Catalog Number:
AG019RPU
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
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Product Description
Catalog Number:
AG019RPU
Chemical Name:
(2-methyl-2,3-dihydro-1,4-benzodioxin-2-yl)methanamine
CAS Number:
802851-07-6
Molecular Formula:
C10H13NO2
Molecular Weight:
179.2157
MDL Number:
MFCD09882229
IUPAC Name:
(3-methyl-2H-1,4-benzodioxin-3-yl)methanamine
InChI:
InChI=1S/C10H13NO2/c1-10(6-11)7-12-8-4-2-3-5-9(8)13-10/h2-5H,6-7,11H2,1H3
InChI Key:
WLYCDJUUOAIBNZ-UHFFFAOYSA-N
SMILES:
NCC1(C)COc2c(O1)cccc2
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.095g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.219g/mol
Monoisotopic Mass:
179.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties