AG003UX8

58473-74-8 | TRANS-3-BROMO-N-ETHYLCINNAMAMIDE

AG003UX8

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CAS Number	58473-74-8
Catalog Number	AG003UX8(AGN-PC-0OCQLL)
Chemical Name	TRANS-3-BROMO-N-ETHYLCINNAMAMIDE
IUPAC Name	(E)-3-(3-bromophenyl)-N-ethylprop-2-enamide
InChI	InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+
InChI Key	LDCXGZCEMNMWIL-VOTSOKGWSA-N
MDL Number	MFCD00075351
Molecular Formula	C11H12BrNO
Molecular Weight	254.1231
NSC Number	335304
SMILES	C(=CC(=O)NCC)/c1cc(Br)ccc1
UNII	M197KE7A5N
Synonyms	3-bromo-N-ethylcinnamide, cinromide, cinromide, (E)-isomer, CINROMIDE, Vumide, 58473-74-8, trans-3-Bromo-N-ethylcinnamamide, (E)-m-Bromo-N-ethylcinnamamide, Cinromide [USAN:INN], Cinromidum [INN-Latin], Cinromida [INN-Spanish], UNII-M197KE7A5N, BRN 2257983, 2-Propenamide, 3-(3-bromophenyl)-N-ethyl-, (E)-, M197KE7A5N, (E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide, LDCXGZCEMNMWIL-VOTSOKGWSA-N, (2E)-3-(3-bromophenyl)-N-ethylprop-2-enamide, NCGC00164530-01, NCGC00164530-03, 2-Propenamide, 3-(3-bromophenyl)-, (E)-, DSSTox_CID_26417, DSSTox_RID_81595, DSSTox_GSID_46417, Cinromidum, Cinromida, 3-(3-Bromophenyl)-N-ethylacrylamide, (E)-3-(3-Bromophenyl)-N-ethylacrylamide, CAS-58473-74-8, 3-Bromo-N-ethylcinnamamide, 69449-19-0, 3-Bromo-N-ethylcinnamide, BW 122U, 3-(3-Bromophenyl)-N-ethyl-2-propenamide, AC1LELFR, cinromide, (E)-isomer, Cinromide (USAN/INN), SCHEMBL35055, SCHEMBL35056, CHEMBL93233, AC1Q319N, DTXSID7046417, GTPL10256, trans 3-bromo-N-ethylcinnamamide, ZINC56762, BW-122U, CHEBI:135038, HY-B1274, Tox21_112161, NSC335304, SBB057810, AKOS008920173, Tox21_112161_1, 3-(3-Bromophenyl)-N-ethylpropeneamide, CCG-213086, FCH4488781, FCH5486560, NSC-335304, trans-3-Bromo-N-ethylcinnamamide, 99%, NCGC00164530-02, BBV-38423190, TS-03434, LS-123310, TC-164882, CS-0013054, ST51007039, (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide, D03513, AB01563282_01, SR-01000883703, (2E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide #, SR-01000883703-1, I14-52865, trans-3-Bromo-N-ethylcinnamamide, technical grade, 90%, 2-Propenamide, (E)-, C11H12BrNO, C11-H12-Br-N-O, CID688145, (2E)-3-(3-Bromophenyl)-N-ethyl-2-propenamide,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	253.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.127g/mol
Monoisotopic Mass	253.01g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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