Cyanustine

Catalog Number	ACM17958393
CAS Number	17958-39-3
Molecular Weight	319.82
InChI	InChI=1S/C15H25NO4.ClH/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16;/h6,10-11,13,17,19H,4-5,7-9H2,1-3H3;1H/t11-,13+,15+;/m0./s1
InChI Key	IAZXZAXZQOMXBB-QWMUGUDESA-N
Purity	95%+
Complexity	407
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Exact Mass	319.155036
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isomeric SMILES	C[C@@H]([C@](C(C)C)(C(=O)OCC1=CC[NH+]2[C@@H]1CCC2)O)O.[Cl-]
Monoisotopic Mass	319.155036
PhysicalState	Powder
Rotatable Bond Count	6
Topological Polar Surface Area	71.2 Ų

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