| CAS Number | 1177558-42-7 |
| Catalog Number | AG003J37(AGN-PC-09RVY2) |
| Chemical Name | 3-Bromo-5-methylbenzylamine |
| 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 |
| MDL Number | MFCD18392012 |
| Molecular Formula | C8H10BrN |
| Molecular Weight | 200.0757 |
| SMILES | CC1=CC(=CC(=C1)Br)CN |
| Synonyms | 3-BROMO-5-METHYLBENZYLAMINE,
1177558-42-7,
(3-BROMO-5-METHYLPHENYL)METHANAMINE,
SCHEMBL1363875,
HFQTVASWWMLTLZ-UHFFFAOYSA-N,
MFCD18392012,
ZINC95763911,
AKOS023434478,
[(3-bromo-5-methylphenyl)methyl]amine,
AB75545,
TRA0032735,
KS-000009L5,
AS-43681,
SC-43241,
SY032518,
FT-0715107,
MFCD18392012 (95%),
|
| 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 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number