AG003SCC

42288-26-6 | N-(4-CYANO-PHENYL)-GLYCINE

AG003SCC

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CAS Number	42288-26-6
Catalog Number	AG003SCC(AGN-PC-0JWICO)
Chemical Name	N-(4-CYANO-PHENYL)-GLYCINE
EC Number	459-560-3
IUPAC Name	2-(4-cyanoanilino)acetic acid
InChI	InChI=1S/C9H8N2O2/c10-5-7-1-3-8(4-2-7)11-6-9(12)13/h1-4,11H,6H2,(H,12,13)
InChI Key	KJRQMXRCZULRHF-UHFFFAOYSA-N
MDL Number	MFCD01464022
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	N(CC(=O)O)c1ccc(cc1)C#N
Synonyms	n-(4-cyanophenyl)glycine, 42288-26-6, 2-((4-Cyanophenyl)amino)acetic acid, 2-(4-Cyanophenylamino)acetic acid, N-(4-CYANO-PHENYL)-GLYCINE, 2-[(4-cyanophenyl)amino]acetic Acid, N-(4-cyanophenyl)-Glycine, 2-(4-cyanoanilino)acetic acid, [(4-cyanophenyl)amino]acetic acid, Glycine, N-(4-cyanophenyl)-, AC1LGAAU, (4-cyanophenyl)glycine, 4-cyano-phenylglycine;, 4-cyanophenyl-glycine;, PubChem18108, N-4-cyanophenylglycine;, N-(p-cyanophenyl)-glycine, AC1Q4RG2, N-(4-cyanophenyl)glycine;, 4-cyanophenylaminoacetic acid, Oprea1_114543, KSC235A9F, SCHEMBL361315, 4-cyanophenylaminoacetic acid;, DL-4-CYANOPHENYLGLYCINE, AC1Q761M, CTK1D5092, KS-00000ABC, (4-cyano-phenylamino)acetic acid, DTXSID80355883, KJRQMXRCZULRHF-UHFFFAOYSA-N, (4-cyano-phenylamino)acetic acid;, ZINC332337, (4-Cyano-phenylamino)-acetic acid, BCP04527, CS-D0913, 2-(4-cyanophenylamino) acetic acid, ANW-50338, EBD217740, MFCD01464022, RW2419, SBB064242, SC3501, AKOS000218605, AC-7903, ACN-025211, AN-8550, FS-3199, LS40290, MCULE-6156960439, RL03630, RTR-016585, TRA0098072, AJ-19529, AK-49065, BC224366, BR-49065, SC-44574, SY021403, AB0028924, DB-003865, TR-016585, AM20090750, BB 0253985, FT-0647115, ST24032316, X1037, EN300-52080, S-1780, MFCD01464022 (97+%), 288C266, I01-4436, Q-102527, C9H8N2O2, 2-(4-cyanophenylamino)aceticacid, AR-1J9135, CID817965, CB11792, C2771, Dabigatran intermediate;Glycine, N-(4-cyanophenyl)-, 253797-03-4, 42772-82-7, 769195-26-8,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	73.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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