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1250888-09-5 | N-(3-Fluoro-benzyl)-cyclohexane-1,4-diamine
CAS No: 1250888-09-5 Catalog No: AG01FAW0 MDL No:
Product Description
Catalog Number:
AG01FAW0
Chemical Name:
N-(3-Fluoro-benzyl)-cyclohexane-1,4-diamine
CAS Number:
1250888-09-5
Molecular Formula:
C13H19FN2
Molecular Weight:
222.3018
IUPAC Name:
4-N-[(3-fluorophenyl)methyl]cyclohexane-1,4-diamine
InChI:
InChI=1S/C13H19FN2/c14-11-3-1-2-10(8-11)9-16-13-6-4-12(15)5-7-13/h1-3,8,12-13,16H,4-7,9,15H2
InChI Key:
ZNVUEOTZVJJFLE-UHFFFAOYSA-N
SMILES:
NC1CCC(CC1)NCc1cccc(c1)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.153g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.307g/mol
Monoisotopic Mass:
222.153g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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