| CAS Number | 1098107-26-6 |
| Catalog Number | AG00HBLQ |
| Chemical Name | N-Boc-2-(3-bromophenoxy)ethylamine |
| IUPAC Name | tert-butyl N-[2-(3-bromophenoxy)ethyl]carbamate |
| InChI | InChI=1S/C13H18BrNO3/c1-13(2,3)18-12(16)15-7-8-17-11-6-4-5-10(14)9-11/h4-6,9H,7-8H2,1-3H3,(H,15,16) |
| InChI Key | HAGWBZUWMYGUKW-UHFFFAOYSA-N |
| MDL Number | MFCD24471090 |
| Molecular Formula | C13H18BrNO3 |
| Molecular Weight | 316.1909 |
| SMILES | CC(OC(NCCOC1=CC(Br)=CC=C1)=O)(C)C |
| Synonyms | tert-butyl (2-(3-bromophenoxy)ethyl)carbamate,
1098107-26-6,
N-Boc-2-(3-bromophenoxy)ethylamine,
SCHEMBL2754694,
HAGWBZUWMYGUKW-UHFFFAOYSA-N,
AKOS027460868,
ZINC150308338,
SY039451,
tert-butyl 2-(3-bromophenoxy)ethylcarbamate,
MFCD24471090 (95%),
[2-(3-Bromophenoxy)ethyl]carbamic acid tert-butyl ester,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.195g/mol |
| Monoisotopic Mass | 315.047g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 47.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number