Home Other Building Blocks (2H-1,3-benzodioxol-5-ylmethyl)(2-methoxyethyl)amine

(2H-1,3-benzodioxol-5-ylmethyl)(2-methoxyethyl)amine

CAS No.:
117986-59-1
Catalog Number:
AG01AH9O
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
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Product Description
Catalog Number:
AG01AH9O
Chemical Name:
(2H-1,3-benzodioxol-5-ylmethyl)(2-methoxyethyl)amine
CAS Number:
117986-59-1
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD07364933
IUPAC Name:
N-(1,3-benzodioxol-5-ylmethyl)-2-methoxyethanamine
InChI:
InChI=1S/C11H15NO3/c1-13-5-4-12-7-9-2-3-10-11(6-9)15-8-14-10/h2-3,6,12H,4-5,7-8H2,1H3
InChI Key:
RQPLNXRORONULE-UHFFFAOYSA-N
SMILES:
COCCNCc1ccc2c(c1)OCO2
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties