AG005LSV

736991-39-2 | 4-(4-Bromophenethyl)morpholine

AG005LSV

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CAS Number	736991-39-2
Catalog Number	AG005LSV(AGN-PC-0NI07K)
Chemical Name	4-(4-Bromophenethyl)morpholine
IUPAC Name	4-[2-(4-bromophenyl)ethyl]morpholine
InChI	InChI=1S/C12H16BrNO/c13-12-3-1-11(2-4-12)5-6-14-7-9-15-10-8-14/h1-4H,5-10H2
InChI Key	NCUTUFSXCVKNAD-UHFFFAOYSA-N
MDL Number	MFCD11855960
Molecular Formula	C12H16BrNO
Molecular Weight	270.1655
SMILES	BrC1=CC=C(C=C1)CCN2CCOCC2
Synonyms	4-(4-BROMOPHENETHYL)MORPHOLINE, 736991-39-2, 4-[2-(4-bromophenyl)ethyl]morpholine, ACMC-209orw, SCHEMBL578554, CTK5D8513, DTXSID50479308, NCUTUFSXCVKNAD-UHFFFAOYSA-N, ANW-36378, MFCD11855960, ZINC38537485, AKOS015835607, AM87165, CB-3492, RTR-023897, AJ-96143, AK-79837, CJ-19472, SC-34315, Morpholine, 4-[2-(4-bromophenyl)ethyl]-, TR-023897, Y5537, B-4843, I14-24993, C12H16BrNO, ACN-048110,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.042g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.17g/mol
Monoisotopic Mass	269.042g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	12.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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