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N-Boc-1-bromo-2-naphthalenamine

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

Technical Data

Patents

Computed Properties

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

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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