| CAS Number | 1177558-32-5 |
| Catalog Number | AG01BD4U(AGN-PC-09RVXU) |
| Chemical Name | (3-bromo-4-methylphenyl)methanamine |
| IUPAC Name | (3-bromo-4-methylphenyl)methanamine |
| InChI | InChI=1S/C8H10BrN/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5,10H2,1H3 |
| InChI Key | GDRGOJWXIJAVCR-UHFFFAOYSA-N |
| MDL Number | MFCD18392011 |
| Molecular Formula | C8H10BrN |
| Molecular Weight | 200.0757 |
| SMILES | BrC=1C=C(CN)C=CC1C |
| Synonyms | 3-Bromo-4-methylbenzylamine,
1177558-32-5,
(3-BROMO-4-METHYLPHENYL)METHANAMINE,
SCHEMBL1363463,
GDRGOJWXIJAVCR-UHFFFAOYSA-N,
(3-bromo-4-methylphenyl)methylamine,
ZINC57937777,
AKOS016000011,
[(3-bromo-4-methylphenyl)methyl]amine,
1-(3-bromo-4-methylphenyl)methanamine,
SC-38652,
SY028613,
FT-0716400,
MFCD18392011 (95%),
A1-01528,
3-bromo-4-methylBenzenemethanamine,
101251-11-0,
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| 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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Certificate of Analysis
Lot Number