Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)

HCID 71296

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Basic information

CAS: 95141-03-0
Standard SMILES: CNC(C)C(O)c1ccccc1.N#CS
InChIKey: RHPLXTLBWAZINH-UHFFFAOYSA-N
Molecular formula: C11H16N2OS
Average molar mass: 224.32 g/mol
Monoisotopic mass: 224.09833431

Names & identifiers

Preferred name: Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)
IUPAC: 2-(methylamino)-1-phenylpropan-1-ol;thiocyanic acid

Names & synonyms

95141-03-0DTXSID90915093Thiocyanic acid--2-(methylamino)-1-phenylpropan-1-ol (1/1)RefChem:1099997DTXCID201344075Ephedrine, thiocyanateEphedrin-hydrorhodanidEphedrin-hydrorhodanid [German]alpha-(1-Methylaminoethyl)benzyl alcohol thiocyanate

Database identifiers

CAS: 95141-03-0
PubChem CID: 71296
DTXSID: DTXSID90915093

Properties

Computed structural properties

Topological polar surface area: 57.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 152

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