AG0003SE

10112-15-9 | Benzenamine, N-ethyl-2-nitro-

AG0003SE

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CAS Number	10112-15-9
Catalog Number	AG0003SE(AGN-PC-0JLTU7)
Chemical Name	Benzenamine, N-ethyl-2-nitro-
EC Number	233-305-4
IUPAC Name	N-ethyl-2-nitroaniline
InChI	InChI=1S/C8H10N2O2/c1-2-9-7-5-3-4-6-8(7)10(11)12/h3-6,9H,2H2,1H3
InChI Key	CQIKVOWCSGXCCG-UHFFFAOYSA-N
MDL Number	MFCD00007091
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	O=[N+](C1=CC=CC=C1NCC)[O-]
Synonyms	N-Ethyl-2-nitroaniline, 10112-15-9, Benzenamine,N-ethyl-2-nitro-, Benzenamine, N-ethyl-2-nitro-, N-Ethyl-2-nitroaniline, 98%, CQIKVOWCSGXCCG-UHFFFAOYSA-N, MFCD00007091, EINECS 233-305-4, Ethyl-(2-nitro-phenyl)-amine, ethyl-6-nitroaniline, ACMC-20ak4v, ethyl(2-nitrophenyl)amine, SCHEMBL162875, AC1Q206U, AC1Q31G4, CTK3J9553, DTXSID60143740, AC1L3391, ALBB-016490, N-Ethyl-N-(2-nitrophenyl)amine #, ZINC4520873, 7314AC, AKOS005208950, MCULE-7178422589, VZ33264, TC-165766, 4CH-004044, FT-0636631, EN300-54637, K-0213, I14-26860, F1911-3525, InChI=1/C8H10N2O2/c1-2-9-7-5-3-4-6-8(7)10(11)12/h3-6,9H,2H2,1H, C8H10N2O2, CID82354, AR-1K6897, C8-H10-N2-O2, 5264-55-1,

Complexity	156
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	2
Topological Polar Surface Area	57.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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