| CAS Number | 1089131-54-3 |
| Catalog Number | AG00HB98 |
| Chemical Name | 3-(Boc-amino)-2-(4-bromophenyl)-propanol |
| IUPAC Name | tert-butyl N-[2-(4-bromophenyl)-3-hydroxypropyl]carbamate |
| InChI | InChI=1S/C14H20BrNO3/c1-14(2,3)19-13(18)16-8-11(9-17)10-4-6-12(15)7-5-10/h4-7,11,17H,8-9H2,1-3H3,(H,16,18) |
| InChI Key | OLRUHCZHLYPPTG-UHFFFAOYSA-N |
| MDL Number | MFCD28405199 |
| Molecular Formula | C14H20BrNO3 |
| Molecular Weight | 330.2175 |
| SMILES | CC(OC(NCC(C1=CC=C(Br)C=C1)CO)=O)(C)C |
| Synonyms | 1089131-54-3,
3-(Boc-amino)-2-(4-bromophenyl)-propanol,
tert-butyl 2-(4-bromophenyl)-3-hydroxypropylcarbamate,
tert-Butyl (2-(4-bromophenyl)-3-hydroxypropyl)carbamate,
SCHEMBL1241387,
MFCD28405199,
AKOS027253498,
AS-42700,
DA-47949,
FT-0735622,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.222g/mol |
| Monoisotopic Mass | 329.063g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number