NNW

1-(pyridin-4-yl)methanamine

Created:	2011-07-26
Last modified:	2011-07-26

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1 entries where NNW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of NNW

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Chemical Component Summary
Name	1-(pyridin-4-yl)methanamine
Systematic Name (OpenEye OEToolkits)	pyridin-4-ylmethanamine
Formula	C₆ H₈ N₂
Molecular Weight	108.141
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1ccc(cc1)CN
SMILES	CACTVS	3.370	NCc1ccncc1
SMILES	OpenEye OEToolkits	1.7.2	c1cnccc1CN
Canonical SMILES	CACTVS	3.370	NCc1ccncc1
Canonical SMILES	OpenEye OEToolkits	1.7.2	c1cnccc1CN
InChI	InChI	1.03	InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
InChIKey	InChI	1.03	TXQWFIVRZNOPCK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	77317
ChEMBL	CHEMBL1188378
CCDC/CSD	OFEXII, TOHYEV, TOHYIZ, IGAHUU, WUTGIC, OFEWUT, QANWOS, HOLJEA, QUJBAB, OFEXUU, BUBWUR, MUDMUU, CUFMIC, HOLJIE, HOLJAW01, JIQMUS, HOLJAW, WEBXAE, QUJCAC, WILMOW, JIQMUS01, HEBJOR, TENDUP, VAZRUN
COD	2206089, 1567250

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