| CAS Number | 910381-02-1 |
| Catalog Number | AG00IGEN(AGN-PC-0WQVLO) |
| Chemical Name | 2-(2-Bromo-5-Methoxyphenyl)Ethanamine |
| IUPAC Name | 2-(2-bromo-5-methoxyphenyl)ethanamine |
| InChI | InChI=1S/C9H12BrNO/c1-12-8-2-3-9(10)7(6-8)4-5-11/h2-3,6H,4-5,11H2,1H3 |
| InChI Key | DKOJHGDTHVOSEO-UHFFFAOYSA-N |
| MDL Number | MFCD08449098 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | COC1=CC(CCN)=C(Br)C=C1 |
| Synonyms | 2-(2-bromo-5-methoxyphenyl)ethanamine,
1207743-69-8,
2-(2-bromo-5-methoxyphenyl)ethan-1-amine,
910381-02-1,
2-(2-Bromo-5-methoxy-phenyl)-ethylamine,
SCHEMBL989673,
1030AJ,
MFCD08449098,
ZINC44396855,
AKOS009446767,
NE63989,
AJ-109696,
CS-0062377,
C9H12BrNO,
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| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number