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1096822-22-8 | N*1*-(4-Bromo-benzyl)-N*1*-methyl-ethane-1,2-diamine
CAS No: 1096822-22-8 Catalog No: AG01F8EF MDL No:
Product Description
Catalog Number:
AG01F8EF
Chemical Name:
N*1*-(4-Bromo-benzyl)-N*1*-methyl-ethane-1,2-diamine
CAS Number:
1096822-22-8
Molecular Formula:
C10H15BrN2
Molecular Weight:
243.1435
IUPAC Name:
N'-[(4-bromophenyl)methyl]-N'-methylethane-1,2-diamine
InChI:
InChI=1S/C10H15BrN2/c1-13(7-6-12)8-9-2-4-10(11)5-3-9/h2-5H,6-8,12H2,1H3
InChI Key:
OCCHFDJIUCHFOJ-UHFFFAOYSA-N
SMILES:
NCCN(Cc1ccc(cc1)Br)C
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.148g/mol
Monoisotopic Mass:
242.042g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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