AG00DII7

51529-96-5 | 4-Ethyl-3-nitroaniline

AG00DII7

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CAS Number	51529-96-5
Catalog Number	AG00DII7(AGN-PC-03TNAQ)
Chemical Name	4-Ethyl-3-nitroaniline
IUPAC Name	4-ethyl-3-nitroaniline
InChI	InChI=1S/C8H10N2O2/c1-2-6-3-4-7(9)5-8(6)10(11)12/h3-5H,2,9H2,1H3
InChI Key	OUVUXCBBKYHSLC-UHFFFAOYSA-N
MDL Number	MFCD09971452
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	c1c(ccc(c1[N+](=O)[O-])CC)N
Synonyms	4-ethyl-3-nitroaniline, 51529-96-5, 4-ethyl-3-nitrobenzeneamine, AC1Q2STM, 4-ethyl-3-nitroaniline;, 4-ethyl-3-nitro-aniline;, 4-Aethyl-3-nitro-anilin;, 4-ethyl-3-nitro-phenylamine, 4-ethyl-3-nitrobenzeneamine;, SCHEMBL358991, CTK6D1814, OUVUXCBBKYHSLC-UHFFFAOYSA-N, 1-Aethyl-4-amino-2-nitro-benzol, 4-amino-1-ethyl-2-nitrobenzene;, KS-00000SK4, 2-Nitro-4-amino-1-aethyl-benzol;, EBD536358, MFCD09971452, ZINC20282186, AKOS009175274, DS-9813, MCULE-2661449226, NE49131, AJ-76868, AK160956, TX-017002, CS-0043819, FT-0703108, ST24043706, EN300-31301, Z1262254279,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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