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100310-80-3 | 1,2-Ethanediamine, N2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N1,N1-diethyl-
CAS No: 100310-80-3 Catalog No: AG0001M4 MDL No:
Product Description
Catalog Number:
AG0001M4
Chemical Name:
1,2-Ethanediamine, N2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N1,N1-diethyl-
CAS Number:
100310-80-3
Molecular Formula:
C15H23ClN2O2
Molecular Weight:
298.8083
IUPAC Name:
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N',N'-diethylethane-1,2-diamine
InChI:
InChI=1S/C15H23ClN2O2/c1-3-18(4-2)6-5-17-9-12-7-14(16)8-13-10-19-11-20-15(12)13/h7-8,17H,3-6,9-11H2,1-2H3
InChI Key:
LJSIAAAKUWQIAC-UHFFFAOYSA-N
SMILES:
CCN(CCNCc1cc(Cl)cc2c1OCOC2)CC
NSC Number:
663631
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.145g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.811g/mol
Monoisotopic Mass:
298.145g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
33.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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