AG000QF2

120157-97-3 | Carbamic acid, N-[2-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester

AG000QF2

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CAS Number	120157-97-3
Catalog Number	AG000QF2(AGN-PC-000R7B)
Chemical Name	Carbamic acid, N-[2-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester
EC Number	601-674-4
IUPAC Name	tert-butyl N-[2-(4-bromophenyl)ethyl]carbamate
InChI	InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChI Key	MRQBIMZMDWOQLF-UHFFFAOYSA-N
MDL Number	MFCD08443684
Molecular Formula	C13H18BrNO2
Molecular Weight	300.1915
SMILES	CC(C)(C)OC(=O)NCCC1=CC=C(Br)C=C1
Synonyms	120157-97-3, N-Boc-2-(4-bromophenyl)ethylamine, n-boc-2-(4-bromo-phenyl)-ethylamine, tert-butyl 4-bromophenethylcarbamate, tert-butyl N-[2-(4-bromophenyl)ethyl]carbamate, n-boc-2-(4-bromo-phenyl)ethylamine, n-boc-4-bromophenethylamine, [2-(4-bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester, tert-Butyl [2-(4-bromophenyl)ethyl]carbamate, Carbamic acid, N-[2-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester, Carbamic acid,N-[2-(4-bromophenyl)ethyl]-,1,1-dimethylethyl ester, ACMC-209a6g, N-BOC-4Bromophenethylamine, n-boc-p-bromophenethyl amine, SCHEMBL1065312, CTK4B1709, DTXSID90557578, MRQBIMZMDWOQLF-UHFFFAOYSA-N, ACT07702, ANW-17462, MFCD08443684, ZINC15442615, AKOS015910441, AB45242, QC-7812, t-Butyl 2-(4-bromophenyl)ethylcarbamate, AJ-67405, AK-28744, AS-34046, SC-21700, AB0004850, DB-061697, RT-023324, tert-butyl 2-(4-bromophenyl)ethylcarbamate, CS-0021342, FT-0647982, Z8193, 4-Bromophenethylcarbamic acid tert-butyl ester, N-(tert-butoxycarbonyl)-4-bromophenethylamine, A-2141, A804443, J-650322, 1,1-dimethylethyl [2-(4-bromophenyl)ethyl]carbamate, I14-40896, [2-(4-bromophenyl)ethyl]carbamic acid tert-butyl ester, [2-(4-Bromo-phenyl)ethyl]-carbamic acid tert-butyl ester, N-[2-(4-bromophenyl)ethyl]carbamic acid tert-butyl ester, C13H18BrNO2, ACN-030021, tert-butyl (4-bromobenzyl)methylcarbamate,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.052g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	300.196g/mol
Monoisotopic Mass	299.052g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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