3CN

3-AMINOPROPANE

Created:	1999-11-01
Last modified:	2024-09-27

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8 entries where 3CN is found as a standalone ligand7 entries where 3CN is covalently linked to polymer or other heterogen groups 6 entries where 3CN is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

2D diagram of 3CN

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Chemical Component Summary
Name	3-AMINOPROPANE
Systematic Name (OpenEye OEToolkits)	propan-1-amine
Formula	C₃ H₉ N
Molecular Weight	59.11
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	NCCC
SMILES	CACTVS	3.341	CCCN
SMILES	OpenEye OEToolkits	1.5.0	CCCN
Canonical SMILES	CACTVS	3.341	CCCN
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCN
InChI	InChI	1.03	InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3
InChIKey	InChI	1.03	WGYKZJWCGVVSQN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7852
ChEMBL	CHEMBL14409
ChEBI	CHEBI:39870
CCDC/CSD	ARUYUH01, DEBLEC, APRCYP10, GABLOL
COD	7214420

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.