(S)-N-Boc-1-(4-bromophenyl)ethylamine - CAS 847728-89-6

Catalog:	BB037298
Product Name:	(S)-N-Boc-1-(4-bromophenyl)ethylamine
CAS:	847728-89-6
Synonyms:	N-[(1S)-1-(4-bromophenyl)ethyl]carbamic acid tert-butyl ester; tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(1S)-1-(4-bromophenyl)ethyl]carbamate
Description:	(S)-N-Boc-1-(4-bromophenyl)ethylamine (CAS# 847728-89-6) is a useful research chemical.
Molecular Weight:	300.19
Molecular Formula:	C13H18BrNO2
Canonical SMILES:	CC(C1=CC=C(C=C1)Br)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C13H18BrNO2/c1-9(10-5-7-11(14)8-6-10)15-12(16)17-13(2,3)4/h5-9H,1-4H3,(H,15,16)/t9-/m0/s1
InChI Key:	KECPRZHCNCDSET-VIFPVBQESA-N
LogP:	4.42570

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Related Functional Groups

Nitrogen Compounds

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

Complexity:	255
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