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1353976-22-3 | N*1*-(2-Bromo-benzyl)-N*1*-ethyl-ethane-1,2-diamine
CAS No: 1353976-22-3 Catalog No: AG01F8RW MDL No:
Product Description
Catalog Number:
AG01F8RW
Chemical Name:
N*1*-(2-Bromo-benzyl)-N*1*-ethyl-ethane-1,2-diamine
CAS Number:
1353976-22-3
Molecular Formula:
C11H17BrN2
Molecular Weight:
257.1701
IUPAC Name:
N'-[(2-bromophenyl)methyl]-N'-ethylethane-1,2-diamine
InChI:
InChI=1S/C11H17BrN2/c1-2-14(8-7-13)9-10-5-3-4-6-11(10)12/h3-6H,2,7-9,13H2,1H3
InChI Key:
UJMGQEBPAZPYGL-UHFFFAOYSA-N
SMILES:
NCCN(Cc1ccccc1Br)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:
256.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.175g/mol
Monoisotopic Mass:
256.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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