AG00AR1H

153732-25-3 | tert-Butyl 3-bromophenethylcarbamate

AG00AR1H

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CAS Number	153732-25-3
Catalog Number	AG00AR1H(AGN-PC-01U7QC)
Chemical Name	tert-Butyl 3-bromophenethylcarbamate
IUPAC Name	tert-butyl N-[2-(3-bromophenyl)ethyl]carbamate
InChI	InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-8-7-10-5-4-6-11(14)9-10/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChI Key	TVNPKEKBYKTLNN-UHFFFAOYSA-N
MDL Number	MFCD11042237
Molecular Formula	C13H18BrNO2
Molecular Weight	300.1915
SMILES	O=C(OC(C)(C)C)NCCC1=CC=CC(Br)=C1
Synonyms	TERT-BUTYL 3-BROMOPHENETHYLCARBAMATE, 153732-25-3, tert-butyl [2-(3-bromophenyl)ethyl]carbamate, tert-butyl N-[2-(3-bromophenyl)ethyl]carbamate, SCHEMBL904075, DTXSID20592735, TVNPKEKBYKTLNN-UHFFFAOYSA-N, MFCD11042237, ZINC66309140, AKOS015958936, AB62837, tert-Butyl (3-bromophenethyl)carbamate, N-tert-butoxycarbonyl-3-bromophenethylamine, CS-0035910, K-4859, A809461, 1,1-dimethylethyl [2-(3-bromophenyl)ethyl]carbamate, N-[2-(3-bromophenyl)ethyl]carbamic acid tert-butyl ester, tert-butyl3-bromophenethylcarbamate,

Complexity	250
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
Packing Group
Precautionary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
UN Code

Certificate of Analysis

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