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1260811-27-5 | 1,4-Benzodioxin-6-methanamine, N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-
CAS No: 1260811-27-5 Catalog No: AG000RCR MDL No:
Product Description
Catalog Number:
AG000RCR
Chemical Name:
1,4-Benzodioxin-6-methanamine, N-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2,3-dihydro-
CAS Number:
1260811-27-5
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
IUPAC Name:
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)methanamine
InChI:
InChI=1S/C18H19NO4/c1-3-15-17(22-7-5-20-15)9-13(1)11-19-12-14-2-4-16-18(10-14)23-8-6-21-16/h1-4,9-10,19H,5-8,11-12H2
InChI Key:
WJYOGHXICMZTOQ-UHFFFAOYSA-N
SMILES:
N(Cc1ccc2c(c1)OCCO2)Cc1ccc2c(c1)OCCO2
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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