Home Amines 1177558-42-7
1177558-42-7,MFCD18392012
Catalog No.:AA003J0F
1177558-42-7 | 3-Bromo-5-methylbenzylamine
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Purity
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Price(USD)
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5g
≥95%
in stock  
$1,254.00   $878.00
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Technical Information
Catalog Number:
AA003J0F
Chemical Name:
3-Bromo-5-methylbenzylamine
CAS Number:
1177558-42-7
Molecular Formula:
C8H10BrN
Molecular Weight:
200.0757
MDL Number:
MFCD18392012
IUPAC Name:
(3-bromo-5-methylphenyl)methanamine
InChI:
InChI=1S/C8H10BrN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,5,10H2,1H3
InChI Key:
HFQTVASWWMLTLZ-UHFFFAOYSA-N
SMILES:
NCc1cc(C)cc(c1)Br
Properties
Computed Properties
 
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.079g/mol
Monoisotopic Mass:
199g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
3-BROMO-5-METHYLBENZYLAMINE 
1177558-42-7 
TRA0032735 
KS-000009L5 
AS-43681 
SC-43241 
SY032518 
FT-0715107 
MFCD18392012 (95%) 
(3-BROMO-5-METHYLPHENYL)METHANAMINE 
SCHEMBL1363875 
HFQTVASWWMLTLZ-UHFFFAOYSA-N 
MFCD18392012 
ZINC95763911 
AKOS023434478 
[(3-bromo-5-methylphenyl)methyl]amine 
AB75545 
Literature
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