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1247567-61-8 | N*1*-Ethyl-N*1*-(3-fluoro-benzyl)-ethane-1,2-diamine
CAS No: 1247567-61-8 Catalog No: AG01F8FQ MDL No:
Product Description
Catalog Number:
AG01F8FQ
Chemical Name:
N*1*-Ethyl-N*1*-(3-fluoro-benzyl)-ethane-1,2-diamine
CAS Number:
1247567-61-8
Molecular Formula:
C11H17FN2
Molecular Weight:
196.2645
IUPAC Name:
N'-ethyl-N'-[(3-fluorophenyl)methyl]ethane-1,2-diamine
InChI:
InChI=1S/C11H17FN2/c1-2-14(7-6-13)9-10-4-3-5-11(12)8-10/h3-5,8H,2,6-7,9,13H2,1H3
InChI Key:
CYSKDKJKTCAVEI-UHFFFAOYSA-N
SMILES:
NCCN(Cc1cccc(c1)F)CC
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.138g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.269g/mol
Monoisotopic Mass:
196.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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