WA0

(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine

Created:	2022-09-02
Last modified:	2022-11-02

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1 entries where WA0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	11

2D diagram of WA0

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Chemical Component Summary
Name	(1R)-2-(1H-imidazol-2-yl)-1-phenylethan-1-amine
Systematic Name (OpenEye OEToolkits)	(1~{R})-2-(1~{H}-imidazol-2-yl)-1-phenyl-ethanamine
Formula	C₁₁ H₁₃ N₃
Molecular Weight	187.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(Cc1ncc[NH]1)c1ccccc1
SMILES	CACTVS	3.385	N[CH](Cc1[nH]ccn1)c2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)C(Cc2[nH]ccn2)N
Canonical SMILES	CACTVS	3.385	N[C@H](Cc1[nH]ccn1)c2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)[C@@H](Cc2[nH]ccn2)N
InChI	InChI	1.06	InChI=1S/C11H13N3/c12-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-7,10H,8,12H2,(H,13,14)/t10-/m1/s1
InChIKey	InChI	1.06	UILZJHCFDFUHKX-SNVBAGLBSA-N

Related Resource References

Resource Name	Reference
PubChem	40953783

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