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Search term: RHPLXTLBWAZINH-UHFFFAOYAC
Found by InChIKey (full match)
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Inherent Properties, Identifiers and References
ChemSpider ID: 64419
Empirical Formula: C11H16N2OS
Molecular Weight: 224.3225
Nominal Mass: 224 Da
Average Mass: 224.3225 Da
Monoisotopic Mass: 224.098333 Da
Systematic Name: 2-methylamino-1-phenyl-propan-1-ol; thiocyanic acid
SMILES: N#CS.OC(c1ccccc1)C(NC)C
InChI: InChI=1/C10H15NO.CHNS/c1-8(11-2)10(12)9-6-4-3-5-7-9;2-1-3/h3-8,10​-12H,1-2H3;3H
InChIKey: RHPLXTLBWAZINH-UHFFFAOYAC
Std. InChI: InChI=1S/C10H15NO.CHNS/c1-8(11-2)10(12)9-6-4-3-5-7-9;2-1-3/h3-8,1​0-12H,1-2H3;3H
Std. InChIKey: RHPLXTLBWAZINH-UHFFFAOYSA-N
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Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

95141-03-0 [RN]

alpha-(1-​Methylami​noethyl)b​enzyl alc​ohol thio​cyanate

Ephedrine​, thiocya​nate

Ephedrin-​hydrorhod​anid [German]

ACD/LogP: 1.05 # of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -1.99 ACD/LogD (pH 7.4): -0.96
ACD/BCF (pH 5.5): 1 ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1 ACD/KOC (pH 7.4): 1
#H bond acceptors: 2 #H bond donors: 2
#Freely Rotating Bonds: 4 Polar Surface Area: 12.47 Å2
Index of Refraction: Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 85.6 °C Enthalpy of Vaporization: 52.03 kJ/mol
Boiling Point: 255 °C at 760 mmHg Vapour Pressure: 0.00865 mmHg at 25°C