1-(Boc-amino)-3-bromo-1-(4-bromophenyl)propane - CAS 924817-79-8
Catalog: |
BB040526 |
Product Name: |
1-(Boc-amino)-3-bromo-1-(4-bromophenyl)propane |
CAS: |
924817-79-8 |
Synonyms: |
N-[3-bromo-1-(4-bromophenyl)propyl]carbamic acid tert-butyl ester; tert-butyl N-[3-bromo-1-(4-bromophenyl)propyl]carbamate |
IUPAC Name: | tert-butyl N-[3-bromo-1-(4-bromophenyl)propyl]carbamate |
Description: | 1-(Boc-amino)-3-bromo-1-(4-bromophenyl)propane (CAS# 924817-79-8 ) is a useful research chemical. |
Molecular Weight: | 393.11 |
Molecular Formula: | C14H19Br2NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CCBr)C1=CC=C(C=C1)Br |
InChI: | InChI=1S/C14H19Br2NO2/c1-14(2,3)19-13(18)17-12(8-9-15)10-4-6-11(16)7-5-10/h4-7,12H,8-9H2,1-3H3,(H,17,18) |
InChI Key: | UAPISCZVBFRXLT-UHFFFAOYSA-N |
LogP: | 5.00430 |
Complexity: | 284 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 392.9762 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 390.97825 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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