N-Boc-1-bromo-2-naphthalenamine - CAS 454713-47-4
Catalog: |
BB025884 |
Product Name: |
N-Boc-1-bromo-2-naphthalenamine |
CAS: |
454713-47-4 |
Synonyms: |
N-(1-bromo-2-naphthalenyl)carbamic acid tert-butyl ester; tert-butyl N-(1-bromonaphthalen-2-yl)carbamate |
IUPAC Name: | tert-butyl N-(1-bromonaphthalen-2-yl)carbamate |
Description: | N-Boc-1-bromo-2-naphthalenamine (CAS# 454713-47-4 ) is a useful research chemical. |
Molecular Weight: | 322.20 |
Molecular Formula: | C15H16BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C2=CC=CC=C2C=C1)Br |
InChI: | InChI=1S/C15H16BrNO2/c1-15(2,3)19-14(18)17-12-9-8-10-6-4-5-7-11(10)13(12)16/h4-9H,1-3H3,(H,17,18) |
InChI Key: | JUHUGHMRVYRVEL-UHFFFAOYSA-N |
LogP: | 5.02230 |
Publication Number | Title | Priority Date |
EP-3753924-A1 | New tricyclic 5-ht2 antagonists | 20190618 |
US-2011112163-A1 | Cbi derivatives subject to reductive activation | 20071113 |
US-8377981-B2 | CBI derivatives subject to reductive activation | 20071113 |
WO-2009064908-A1 | Cbi derivatives subject to reductive activation | 20071113 |
AU-2005296389-A1 | Nitrobenzindoles and their use in cancer therapy | 20041022 |
Complexity: | 327 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.03644 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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