XRS

(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine

Created:	2012-11-26
Last modified:	2014-09-05

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1 entries where XRS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	5

2D diagram of XRS

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Chemical Component Summary
Name	(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine
Systematic Name (OpenEye OEToolkits)	(2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine
Formula	C₁₀ H₁₉ N₃ O
Molecular Weight	197.277
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O(c1nccn1C)CCC(N(C)C)C
SMILES	CACTVS	3.385	C[CH](CCOc1nccn1C)N(C)C
SMILES	OpenEye OEToolkits	1.9.2	CC(CCOc1nccn1C)N(C)C
Canonical SMILES	CACTVS	3.385	C[C@H](CCOc1nccn1C)N(C)C
Canonical SMILES	OpenEye OEToolkits	1.9.2	C[C@H](CCOc1nccn1C)N(C)C
InChI	InChI	1.03	InChI=1S/C10H19N3O/c1-9(12(2)3)5-8-14-10-11-6-7-13(10)4/h6-7,9H,5,8H2,1-4H3/t9-/m1/s1
InChIKey	InChI	1.03	VPQCJEWNIYWNLE-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	70701321
ChEMBL	CHEMBL2312565

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