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278173-23-2

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Basic Information
CAS No.: 278173-23-2
Name: (5S)-2 2 3-TRIMETHYL-5-PHENYLMETHYL-4-I&
Molecular Structure:
Molecular Structure of 278173-23-2 ((5S)-2 2 3-TRIMETHYL-5-PHENYLMETHYL-4-I&)
Formula: C13H18N2O.HCl
Molecular Weight: 254.76
Synonyms: (5S)-(-)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone monohydrochloride
Melting Point: 157-161 °C(lit.)
Boiling Point: 351 °C at 760 mmHg
Flash Point: 166.1 °C
PSA: 32.34000
LogP: 2.46410
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Specification

The (5S)-(-)-2,2,3-Trimethyl-5-benzyl-4-imidazolidinone monohydrochloride is an organic compound with the formula C13H18N2O.HCl. The systematic name of this product is (5S)-5-benzyl-2,2,3-trimethylimidazolidin-4-one hydrochloride. With the CAS registry number 278173-23-2, it is also named as (5S)-(−)-2,2,3-Trimethyl-5-phenylmethyl-4-imidazolidinone monohydrochloride. This chemical must be stored at normal temperature and avoid direct sunshine. It is toxic if swallowed. The price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 13; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 215; (8)ACD/KOC (pH 7.4): 220; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Enthalpy of Vaporization: 59.56 kJ/mol; (13)Vapour Pressure: 4.24E-05 mmHg at 25°C; (14)WGK Germany: 3.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C1N(C)C(N[C@H]1Cc2ccccc2)(C)C.Cl;
2.InChI: InChI=1/C13H18N2O.ClH/c1-13(2)14-11(12(16)15(13)3)9-10-7-5-4-6-8-10;/h4-8,11,14H,9H2,1-3H3;1H/t11-;/m0./s.
3.InChIKey: YIYFEXGDFJLJGM-MERQFXBCBZ.