AG0055A2

80058-84-0 | 4-Bromo-2,6-diisopropylaniline

AG0055A2

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CAS Number	80058-84-0
Catalog Number	AG0055A2(AGN-PC-00G0DS)
Chemical Name	4-Bromo-2,6-diisopropylaniline
IUPAC Name	4-bromo-2,6-di(propan-2-yl)aniline
InChI	InChI=1S/C12H18BrN/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,14H2,1-4H3
InChI Key	QAQRHTYPYQPBSX-UHFFFAOYSA-N
MDL Number	MFCD09743895
Molecular Formula	C12H18BrN
Molecular Weight	256.1820
SMILES	NC1=C(C(C)C)C=C(Br)C=C1C(C)C
Synonyms	4-Bromo-2,6-diisopropylaniline, 80058-84-0, 4-Bromo-2,6-bis(1-methylethyl)benzenamine, 2,6-diisopropyl-4-bromoaniline, AK-36419, SCHEMBL636376, CTK5E7424, DTXSID40472464, QAQRHTYPYQPBSX-UHFFFAOYSA-N, 4-bromo-2,6-di-iso-propylaniline, 4-bromo-2,6-diisopropylphenylamine, KS-00000JP0, MFCD09743895, ZINC22114260, 4-bromo-2,6-di(propan-2-yl)aniline, AKOS016846086, 4-bromo-2,6-bis(propan-2-yl)aniline, AM83137, CS-W019405, FCH1392459, 4-bromanyl-2,6-di(propan-2-yl)aniline, AJ-81024, CJ-17325, DS-12932, S723, 4-BROMO-2,6-BIS(ISOPROPYL)ANILINE, AX8022661, 4CH-011486, FT-0647278, ST24023332, Benzenamine, 4-bromo-2,6-bis(1-methylethyl)-, M-9144, A839824, C12H18BrN, 4-bromo-2,6-dipropan-2-yl-aniline, CID11780114, Benzenamine,4-bromo-2,6-bis(1-methylethyl)-,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.062g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	256.187g/mol
Monoisotopic Mass	255.062g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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