AG0010PT

132475-93-5 | Benzenamine, 2-(1-methylethyl)-5-nitro-

AG0010PT

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CAS Number	132475-93-5
Catalog Number	AG0010PT(AGN-PC-024VPF)
Chemical Name	Benzenamine, 2-(1-methylethyl)-5-nitro-
IUPAC Name	5-nitro-2-propan-2-ylaniline
InChI	InChI=1S/C9H12N2O2/c1-6(2)8-4-3-7(11(12)13)5-9(8)10/h3-6H,10H2,1-2H3
InChI Key	VKEVGYZHNPSPOF-UHFFFAOYSA-N
MDL Number	MFCD22188519
Molecular Formula	C9H12N2O2
Molecular Weight	180.2038
SMILES	NC1=CC([N+]([O-])=O)=CC=C1C(C)C
Synonyms	2-Isopropyl-5-nitroaniline, 132475-93-5, Benzenamine, 2-(1-methylethyl)-5-nitro-, 5-Nitro-2-(propan-2-yl)aniline, AK100799, 2-Isopropyl-5-nitro-aniline, SCHEMBL433268, 5-nitro-2-propan-2-ylaniline, CTK8C3288, KS-00000QVI, DTXSID40597065, VKEVGYZHNPSPOF-UHFFFAOYSA-N, ANW-69912, MFCD22188519, ZINC85217629, AKOS016001740, DS-2248, FCH3635813, CJ-22291, AJ-126825, AX8241719, TC-158657, 4CH-012231, ST24022284, Z4090, D-1175, C9H12N2O2,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.09g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.207g/mol
Monoisotopic Mass	180.09g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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