AG00DJIB

53786-45-1 | ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate

AG00DJIB

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CAS Number	53786-45-1
Catalog Number	AG00DJIB(AGN-PC-0JLEGA)
Chemical Name	ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate
EC Number	258-775-8
IUPAC Name	ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate
InChI	InChI=1S/C14H20ClN3O2/c1-2-20-14(19)18-7-5-11(6-8-18)17-13-4-3-10(15)9-12(13)16/h3-4,9,11,17H,2,5-8,16H2,1H3
InChI Key	PPCPQDDCMQRJLS-UHFFFAOYSA-N
MDL Number	MFCD03931057
Molecular Formula	C14H20ClN3O2
Molecular Weight	297.7805
SMILES	CCOC(=O)N1CCC(CC1)NC1=C(N)C=C(Cl)C=C1
Synonyms	53786-45-1, Ethyl 4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate, ethyl 4-[(2-amino-4-chlorophenyl)amino]piperidine-1-carboxylate, ethyl 4-(2-amino-4-chloroanilino)piperidine-1-carboxylate, AK-79639, EINECS 258-775-8, AC1L2X5U, AC1Q65GZ, DSSTox_CID_31554, DSSTox_RID_97439, DSSTox_GSID_57765, CHEMBL3182812, DTXSID9057765, SCHEMBL11022630, CTK4J8791, KS-00000QIK, PPCPQDDCMQRJLS-UHFFFAOYSA-N, ZINC409582, Tox21_113929, ANW-68419, MFCD03931057, RB3291, AKOS009236170, DS-2554, MCULE-8808559104, MP-0686, NCGC00262934-01, AJ-22766, CJ-04242, DA-05099, SC-45791, AB0068792, AX8237145, CAS-53786-45-1, TC-157164, 4CH-012021, FT-0696405, ST24024921, Z4845, SR-01000944900, SR-01000944900-1, 1-Carbethoxy-4-(2-amino-4-chloroanilino)-piperidine, 1-PIPERIDINECARBOXYLIC ACID,4-[(2-AMINO-4-CHLOROPH, ethyl 4-(2-amino-4-chlorophenylamino)piperidine-1-carboxylate, ETHYL 4-(2-AMINO-4-CHLOROANILINO)-1-PIPERIDINECARBOXYLATE, 4-[(2-Amino-4-chlorophenyl)amino]-1-piperidinecarboxylic acid ethyl ester, 1-PIPERIDINECARBOXYLIC ACID,4-[(2-AMINO-4-CHLOROPHENYL)AMINO]-,ETHYL ESTER, 1-Piperidinecarboxylicacid, 4-[(2-amino-4-chlorophenyl)amino]-, ethyl ester, C14H20ClN3O2, C14-H20-Cl-N3-O2, AR-1I9051, CID104609, Ethyl4-((2-amino-4-chlorophenyl)amino)piperidine-1-carboxylate, 1-Piperidinecarboxylic acid, 4-((2-amino-4-chlorophenyl)amino)-, ethyl ester, 5468-19-9,

Complexity	322
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.124g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	297.783g/mol
Monoisotopic Mass	297.124g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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