| CAS Number | 1154900-94-3 |
| Catalog Number | AG01AYSW |
| Chemical Name | 2-{[(3-bromophenyl)methyl]amino}propan-1-ol |
| IUPAC Name | 2-[(3-bromophenyl)methylamino]propan-1-ol |
| InChI | InChI=1S/C10H14BrNO/c1-8(7-13)12-6-9-3-2-4-10(11)5-9/h2-5,8,12-13H,6-7H2,1H3 |
| InChI Key | VUKTVOJGZQVKLB-UHFFFAOYSA-N |
| MDL Number | MFCD12184501 |
| Molecular Formula | C10H14BrNO |
| Molecular Weight | 244.1283 |
| SMILES | CC(NCC1=CC(Br)=CC=C1)CO |
| Synonyms | 2-{[(3-bromophenyl)methyl]amino}propan-1-ol,
1154900-94-3,
AKOS009541614,
MCULE-1025170936,
NE55793,
Z1271989046,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.132g/mol |
| Monoisotopic Mass | 243.026g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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