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(R)-N-Boc-1-(3-bromophenyl)ethylamine

(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

Technical Data

Patents

Computed Properties

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

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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