(R)-N-Boc-1-(3-bromophenyl)ethylamine - CAS 1187932-25-7
Catalog: |
BB004284 |
Product Name: |
(R)-N-Boc-1-(3-bromophenyl)ethylamine |
CAS: |
1187932-25-7 |
Synonyms: |
N-[(1R)-1-(3-bromophenyl)ethyl]carbamic acid tert-butyl ester; tert-butyl N-[(1R)-1-(3-bromophenyl)ethyl]carbamate |
IUPAC Name: | tert-butyl N-[(1R)-1-(3-bromophenyl)ethyl]carbamate |
Description: | (R)-N-Boc-1-(3-bromophenyl)ethylamine (CAS# 1187932-25-7) is used as a reactant in the synthesis of macrocyclic peptidomimetic inhibitors of flaviviridae viruses. |
Molecular Weight: | 300.19 |
Molecular Formula: | C13H18BrNO2 |
Canonical SMILES: | CC(C1=CC(=CC=C1)Br)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C13H18BrNO2/c1-9(10-6-5-7-11(14)8-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m1/s1 |
InChI Key: | WWNQMGYJYMXOEU-SECBINFHSA-N |
LogP: | 4.23920 |
Publication Number | Title | Priority Date |
CN-112020357-A | Salts of indazolyl-containing tricyclic derivatives and crystal forms thereof | 20190402 |
WO-2020200161-A1 | Salt of indazolyl-containing tricyclic derivative and crystal form thereof | 20190402 |
TW-202102507-A | A salt of a tricyclic derivative containing an indazole group and its crystal form | 20190402 |
CN-110546150-A | Pyrazolyl-containing tricyclic derivatives, preparation method and application thereof | 20171019 |
WO-2019076336-A1 | Triazole derivative containing pyrazolyl, preparation method and application thereof | 20171019 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.05209 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.05209 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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