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61694-79-9 | N*1*-Ethyl-N*1*-(3-methoxy-benzyl)-ethane-1,2-diamine
CAS No: 61694-79-9 Catalog No: AG01F8CI MDL No:
Product Description
Catalog Number:
AG01F8CI
Chemical Name:
N*1*-Ethyl-N*1*-(3-methoxy-benzyl)-ethane-1,2-diamine
CAS Number:
61694-79-9
Molecular Formula:
C12H20N2O
Molecular Weight:
208.3000
IUPAC Name:
N'-ethyl-N'-[(3-methoxyphenyl)methyl]ethane-1,2-diamine
InChI:
InChI=1S/C12H20N2O/c1-3-14(8-7-13)10-11-5-4-6-12(9-11)15-2/h4-6,9H,3,7-8,10,13H2,1-2H3
InChI Key:
HQBIWNGNXVHZRX-UHFFFAOYSA-N
SMILES:
NCCN(Cc1cccc(c1)OC)CC
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.158g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.305g/mol
Monoisotopic Mass:
208.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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