| CAS Number | 887581-09-1 |
| Catalog Number | AG004CFS(AGN-PC-0VNUQM) |
| Chemical Name | Benzenemethanamine,2-bromo-5-methoxy- |
| IUPAC Name | (2-bromo-5-methoxyphenyl)methanamine |
| InChI | InChI=1S/C8H10BrNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,5,10H2,1H3 |
| InChI Key | PWFPLVSPVFJSSZ-UHFFFAOYSA-N |
| MDL Number | MFCD07786684 |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.0751 |
| SMILES | NCC1=CC(OC)=CC=C1Br |
| Synonyms | 887581-09-1,
(2-bromo-5-methoxyphenyl)methanamine,
2-BROMO-5-METHOXYBENZYLAMINE,
Benzenemethanamine,2-bromo-5-methoxy-,
1-(2-Bromo-5-methoxyphenyl)methanamine,
SCHEMBL2517236,
CTK5G1479,
DTXSID80640741,
PWFPLVSPVFJSSZ-UHFFFAOYSA-N,
2-Bromo-5-methoxybenzenemethaneamine,
MFCD07786684,
ZINC19426586,
AKOS000167109,
MCULE-5503458067,
AK389546,
SC-12414,
AB00997142-01,
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| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.078g/mol |
| Monoisotopic Mass | 214.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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