AG00GA0J

76842-15-4 | 2-IODO-4-(1-METHYLETHYL)BENZENAMINE

AG00GA0J

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CAS Number	76842-15-4
Catalog Number	AG00GA0J(AGN-PC-0NJTLD)
Chemical Name	2-IODO-4-(1-METHYLETHYL)BENZENAMINE
IUPAC Name	2-iodo-4-propan-2-ylaniline
InChI	InChI=1S/C9H12IN/c1-6(2)7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3
InChI Key	JIDLOAJVWCFQAG-UHFFFAOYSA-N
MDL Number	MFCD09743666
Molecular Formula	C9H12IN
Molecular Weight	261.1028
SMILES	c1c(ccc(c1I)N)C(C)C
Synonyms	2-iodo-4-isopropylaniline, 76842-15-4, 2-IODO-4-(1-METHYLETHYL)BENZENAMINE, 2-iodo-4-(propan-2-yl)aniline, 2-iodo-4-isopropylbenzenamine, 2-iodo-4-propan-2-ylaniline, SCHEMBL4827890, MFCD09743666, ZINC39261947, AKOS017553157, GS-6323, KS-000026A1, DA-03509, FT-0698952, 2-IODO-4- BENZENAMINE,

Complexity	125
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.001g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.106g/mol
Monoisotopic Mass	261.001g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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