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856795-95-4 | N-(4-Bromobenzyl)ethanamine
CAS No: 856795-95-4 Catalog No: AG003SZV MDL No:MFCD07404997
Product Description
Catalog Number:
AG003SZV
Chemical Name:
N-(4-Bromobenzyl)ethanamine
CAS Number:
856795-95-4
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
MDL Number:
MFCD07404997
IUPAC Name:
N-[(4-bromophenyl)methyl]ethanamine
InChI:
InChI=1S/C9H12BrN/c1-2-11-7-8-3-5-9(10)6-4-8/h3-6,11H,2,7H2,1H3
InChI Key:
RVGAYUIZZCACIV-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(cc1)Br
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.106g/mol
Monoisotopic Mass:
213.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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