A1CDZ

4-[2-(methylamino)ethyl]benzonitrile

Created:	2025-05-21
Last modified:	2025-11-12

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1 entries where A1CDZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	6

2D diagram of A1CDZ

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Chemical Component Summary
Name	4-[2-(methylamino)ethyl]benzonitrile
Systematic Name (OpenEye OEToolkits)	4-[2-(methylamino)ethyl]benzenecarbonitrile
Formula	C₁₀ H₁₂ N₂
Molecular Weight	160.216
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	N#Cc1ccc(CCNC)cc1
SMILES	CACTVS	3.385	CNCCc1ccc(cc1)C#N
SMILES	OpenEye OEToolkits	3.1.0.0	CNCCc1ccc(cc1)C#N
Canonical SMILES	CACTVS	3.385	CNCCc1ccc(cc1)C#N
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CNCCc1ccc(cc1)C#N
InChI	InChI	1.06	InChI=1S/C10H12N2/c1-12-7-6-9-2-4-10(8-11)5-3-9/h2-5,12H,6-7H2,1H3
InChIKey	InChI	1.06	HVQQKHKVUWPZKL-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.