CAS No.67844-53-5,N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylformamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	67844-53-5
Name:	N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylformamide
Article Data:	6

Formula:	C₁₁H₁₅NO₂
Molecular Weight:	193.246
Synonyms:	Formamide,N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-, (R,S)- (9CI);Formamide, N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-,(R,S)-(?à)-;N-Formyl-dl-ephedrine;
Density:	1.104 g/cm³
Boiling Point:	386.2 °C at 760mmHg
Flash Point:	187.4 °C

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Specification

The IUPAC name of this product is N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylformamide. With the CAS registry number 67844-53-5, it is also named as Formamide, N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-, (R*,S*)-. In addition, this chemical should be avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 47.39; (8)ACD/KOC (pH 7.4): 47.39; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.542; (13)Molar Refractivity: 55.1 cm³; (14)Molar Volume: 174.9 cm³; (15)Polarizability: 21.84×10^-24 cm³; (16)Surface Tension: 43.9 dyne/cm; (17)Enthalpy of Vaporization: 66.99 kJ/mol; (18)Vapour Pressure: 1.18E-06 mmHg at 25°C; (19)Rotatable Bond Count: 3; (20)Exact Mass: 193.110279; (21)MonoIsotopic Mass: 193.110279; (22)Topological Polar Surface Area: 40.5; (23)Heavy Atom Count: 14; (24)Complexity: 178.

People can use the following data to convert to the molecule structure.
1. SMILES: O=CN([C@H]([C@H](O)c1ccccc1)C)C;
2. InChI: InChI=1/C11H15NO2/c1-9(12(2)8-13)11(14)10-6-4-3-5-7-10/h3-9,11,14H,1-2H3/t9-,11-/m0/s1.