AG00I816

4102-53-8 | Benzenamine, 4-iodo-2,6-dimethyl-

AG00I816

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CAS Number	4102-53-8
Catalog Number	AG00I816(AGN-PC-0CCG3Y)
Chemical Name	Benzenamine, 4-iodo-2,6-dimethyl-
EC Number	609-884-8
IUPAC Name	4-iodo-2,6-dimethylaniline
InChI	InChI=1S/C8H10IN/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,10H2,1-2H3
InChI Key	BJJSUOOEBCCLNY-UHFFFAOYSA-N
MDL Number	MFCD08061611
Molecular Formula	C8H10IN
Molecular Weight	247.0762
NSC Number	128900
SMILES	NC1=C(C)C=C(I)C=C1C
Synonyms	4-Iodo-2,6-dimethylaniline, 4102-53-8, 2,6-dimethyl-4-iodoaniline, 4-iodo-2,6-dimethylbenzenamine, BJJSUOOEBCCLNY-UHFFFAOYSA-N, Benzenamine, 4-iodo-2,6-dimethyl-, 4-Iodo-2,6-dimethyl-phenylamine hydrochloride, 4-iod-2,6-dimethylanilin, NSC128900, AC1Q4PEJ, AC1L5P5S, SCHEMBL106150, 4-iodo-2,6-dimethyl-aniline, 4-iodo-2,6-dimethylphenylamine, 4-iodanyl-2,6-dimethyl-aniline, CTK8C5029, 4-iodo-2,6-dimethyl benzenamine, DTXSID00299250, CS-M3088, KS-000009ZH, ZINC1717248, ANW-73793, CI-175, MFCD08061611, SBB051715, AKOS015889977, AC-1378, AS05368, CM11443, NSC-128900, QC-1796, VZ29234, AJ-30886, AK-61809, AN-15003, AS-17338, BC213574, SY035113, U621, AB0019364, DB-024418, TC-162538, TL8002973, 4CH-024286, FT-0082409, FT-0650618, ST24043806, MFCD08061611 (97%), Z-1691, 102I538, A825404, I01-4378, Nc1c(C)cc(I)cc1C, C8H10IN, AR-1G2899, CID278942, 4-Iodo-2,6-dimethylaniline hydrochloride, 138385-59-8, 41287-79-0,

Complexity	104
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.986g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.079g/mol
Monoisotopic Mass	246.986g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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