AG003CBN

578729-21-2 | (R)-N-Boc-1-(4-bromophenyl)ethylamine

AG003CBN

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CAS Number	578729-21-2
Catalog Number	AG003CBN(AGN-PC-0OCN2O)
Chemical Name	(R)-N-Boc-1-(4-bromophenyl)ethylamine
IUPAC Name	tert-butyl N-[(1R)-1-(4-bromophenyl)ethyl]carbamate
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-/m1/s1
InChI Key	KECPRZHCNCDSET-SECBINFHSA-N
MDL Number	MFCD11506010
Molecular Formula	C13H18BrNO2
Molecular Weight	300.1915
SMILES	O=C(OC(C)(C)C)N[C@@H](C1=CC=C(Br)C=C1)C
Synonyms	578729-21-2, (R)-tert-Butyl (1-(4-bromophenyl)ethyl)carbamate, (R)-tert-butyl 1-(4-bromophenyl)ethylcarbamate, (R)-[1-(4-Bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester, TERT-BUTYL [(1R)-1-(4-BROMOPHENYL)ETHYL]CARBAMATE, Carbamic acid, [(1R)-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester, (R)-N-Boc-1-(4-bromophenyl)ethylamine, (R)-[1-(4-Bromophenyl)ethyl]carbamic acid tert-butyl ester, SCHEMBL1754171, CTK5A7570, DTXSID30680975, KECPRZHCNCDSET-SECBINFHSA-N, CS-B0041, 8549AB, ANW-44317, MFCD11506010, ZINC64033699, AKOS016842781, AC-29333, DS-17623, AB0108126, AJ-114659, ST2402684, TC-062058, J1234, W-2846, tert-butyl (1r)-1-(4-bromophenyl)ethylcarbamate, 729B212, tert-butyl (R)-(1-(4-bromophenyl)ethyl)carbamate, tert-butyl[(1r)-1-(4-bromophenyl)ethyl]carbamate, tert-butyl [(1R)-1-(4-bromo phenyl)ethyl]carbamate, (R)-[1-(4-bromophenyl)-ethyl]-carbamic acid tert-butyl ester, (R)-1-(4-Bromo-phenyl)-ethyl-carbamic acid tert-butyl ester, [(R)-1-(4-bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester, (R)-[1-(4-Bromo-phenyl)-ethyl]-carbamic acid tert-butyl ester, AldrichCPR, Carbamic acid,N-[(1R)-1-(4-bromophenyl)ethyl]-, 1,1-dimethylethyl ester, N-[(1R)-1-(4-bromophenyl)ethyl]-carbamic acid-1,1-dimethylethyl ester, C13H18BrNO2, (R)-tert-butyl(1-(4-bromophenyl)ethyl)carbamate,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
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	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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