AG0071FT

42822-57-1 | Diethyl (4-aminophenyl)phosphonate

AG0071FT

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CAS Number	42822-57-1
Catalog Number	AG0071FT(AGN-PC-0JO45V)
Chemical Name	Diethyl (4-aminophenyl)phosphonate
IUPAC Name	4-diethoxyphosphorylaniline
InChI	InChI=1S/C10H16NO3P/c1-3-13-15(12,14-4-2)10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
InChI Key	OIGQTUBEBRLSOX-UHFFFAOYSA-N
MDL Number	MFCD00272195
Molecular Formula	C10H16NO3P
Molecular Weight	229.2127
NSC Number	118225
SMILES	NC1=CC=C(P(OCC)(OCC)=O)C=C1
Synonyms	diethyl (4-aminophenyl)phosphonate, 42822-57-1, diethyl(4-aminophenyl)phosphonate, diethyl 4-aminophenylphosphonate, 4-diethoxyphosphorylaniline, 42022-57-1, NSC118225, AC1L6SUA, AC1Q6SSB, Phosphonic acid, P-(4-aminophenyl)-, diethyl ester, SCHEMBL2031067, CTK4I6635, DTXSID10297808, OIGQTUBEBRLSOX-UHFFFAOYSA-N, KS-00000G1K, ZINC1708144, ZX-AT019479, MFCD00272195, AKOS015962741, CS-W004395, NSC-118225, OR10688, 4-Aminophenylphosphonic acid diethyl ester, AJ-30713, AK154810, CJ-28943, AX8124800, ST24046519, (4-Amino-phenyl)-phosphonic Acid Diethyl Ester, Phosphonicacid, P-(4-aminophenyl)-, diethyl ester, AR-1I4924, CID273213, 4329-91-3,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.087g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.216g/mol
Monoisotopic Mass	229.087g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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