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90389-91-6 | N-(3-Bromobenzyl)ethanamine
CAS No: 90389-91-6 Catalog No: AG003SZQ MDL No:MFCD07405019
Product Description
Catalog Number:
AG003SZQ
Chemical Name:
N-(3-Bromobenzyl)ethanamine
CAS Number:
90389-91-6
Molecular Formula:
C9H12BrN
Molecular Weight:
214.1023
MDL Number:
MFCD07405019
IUPAC Name:
N-[(3-bromophenyl)methyl]ethanamine
InChI:
InChI=1S/C9H12BrN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3
InChI Key:
ZKUHSZJORZCOFE-UHFFFAOYSA-N
SMILES:
CCNCc1cccc(c1)Br
Properties
Complexity:
106
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:
2.6
Literature
| Title | Journal |
|---|---|
| Benzylamines: synthesis and evaluation of antimycobacterial properties. | Journal of medicinal chemistry 19840901 |
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