AG0034U6

37842-58-3 | Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)

AG0034U6

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CAS Number	37842-58-3
Catalog Number	AG0034U6(AGN-PC-0REUFH)
Chemical Name	Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate)
IUPAC Name	ethyl 2-amino-2-cyanoacetate;4-methylbenzenesulfonic acid
InChI	InChI=1S/C7H8O3S.C5H8N2O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-9-5(8)4(7)3-6/h2-5H,1H3,(H,8,9,10);4H,2,7H2,1H3
InChI Key	IJPUEWDLGXTFSX-UHFFFAOYSA-N
MDL Number	MFCD00666813
Molecular Formula	C12H16N2O5S
Molecular Weight	300.3308
NSC Number	150033
SMILES	Cc1ccc(cc1)S(=O)(=O)O.CCOC(=O)C(C#N)N
Synonyms	37842-58-3, Ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonate, ethyl 2-amino-2-cyanoacetate. PTSA, AKOS-92639, ETHYL AMINOCYANOACETATE P-TOLUENESULFONATE, AK-93752, Ethyl 2-amino-2-cyanoacetate mono(4-methylbenzenesulfonate), NSC150033, 37842-58-3[rn], AC1Q6WMA, AC1L6A5S, Ethyl 2-Amino-2-cyanoacetate p-Toluenesulfonate, Ethyl aminocyanoacetate tosylate, SCHEMBL5671105, CTK8B9777, DTXSID00302293, ethyl2-amino-2-cyanoacetatemono(4-methylbenzenesulfonate), IJPUEWDLGXTFSX-UHFFFAOYSA-N, AKOS 92639, BCP08001, ANW-63060, MFCD00666813, QC-130, AKOS016004493, CS-W006139, MCULE-2370575476, MP-1104, NSC-150033, ACM37842583, KS-000002I6, AM807895, DS-17872, SC-16628, SY020914, AB0048717, AX8228130, TC-151805, 4CH-003977, ST24024838, ST50559149, Z4677, MFCD00666813 (95%), ethyl amino(cyano)acetate 4-methylbenzenesulfonate, Acetic acid, ethyl ester, mono(4-methylbenzenesulfonate), ethyl 2-amino-2-cyanoacetate p-toluenesulfonic acid salt, 4-methylbenzenesulfonic acid, ethyl 2-amino-2-cyanoacetate, ethyl 2-amino-2-cyanoacetate; 4-methylbenzenesulfonic acid, ethyl alpha-amino-alpha-cyanoacetate 4-methylbenzenesulfonate, 4-Methylbenzene-1-sulfonic acid--ethyl 3-nitriloalaninate (1/1), Toluene-4-sulfonic acid; compound with amino-cyano-acetic acid ethyl ester, Acetic acid, 2-amino-2-cyano-, ethyl ester, 4-methylbenzenesulfonate (1:1), C12H16N2O5S, AR-1F1484, CID288715, ETHYLAMINOCYANOACETATEP-TOLUENESULFONATE, ethyl 2-amino-2-cyanoacetate 4-methylbenzenesulfonat, Acetic acid, aminocyano-, ethyl ester, mono(4-methylbenzenesulfonate), 3809-32-3,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.078g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	300.329g/mol
Monoisotopic Mass	300.078g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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