2A1

(2S)-2-aminopropan-1-ol

Created:	2010-01-06
Last modified:	2024-09-27

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3 entries where 2A1 is found as a standalone ligand4 entries where 2A1 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	1
Bond Count	13
Aromatic Bond Count	0

2D diagram of 2A1

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Chemical Component Summary
Name	(2S)-2-aminopropan-1-ol
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanylpropan-1-ol
Formula	C₃ H₉ N O
Molecular Weight	75.11
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	C[CH](N)CO
SMILES	OpenEye OEToolkits	1.7.0	CC(CO)N
Canonical SMILES	CACTVS	3.352	C[C@H](N)CO
Canonical SMILES	OpenEye OEToolkits	1.7.0	C[C@@H](CO)N
InChI	InChI	1.03	InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1
InChIKey	InChI	1.03	BKMMTJMQCTUHRP-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	80307
ChEMBL	CHEMBL1229871
ChEBI	CHEBI:78502
CCDC/CSD	GISWUB, PAPFUI, TUSPIH

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