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| CAS No.: | 110529-22-1 |
|---|---|
| Name: | (S)-(+)-2-[HYDROXY(DIPHENYL)METHYL]-1-METHYLPYRROLIDINE |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C18H21NO |
| Molecular Weight: | 267.371 |
| Synonyms: | 2-Pyrrolidinemethanol,1-methyl-a,a-diphenyl-, (S)-;(+)-1-Methyl-2-(diphenylhydroxymethyl)pyrrolidine;(2S)-1-Methyl-a,a-diphenyl-2-pyrrolidinemethanol;(S)-(1-Methyl-2-pyrrolidinyl)diphenylmethanol; |
| EINECS: | -0 |
| Density: | 1.116 g/cm3 |
| Melting Point: | 66-72 °C |
| Boiling Point: | 406.8 °C at 760 mmHg |
| Flash Point: | 196.8 °C |
| Appearance: | white to slightly yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 23.47000 |
| LogP: | 2.95460 |
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Specification
The IUPAC name of alpha,alpha-Diphenyl-N-methyl-L-prolinol is [(2S)-1-methylpyrrolidin-1-ium-2-yl]-diphenylmethanol. With the CAS registry number 110529-22-1, it is also named as 2-Pyrrolidinemethanol, 1-methyl-alpha,alpha-diphenyl-, (2S)-; 1,1,1-Diphenyl-(N-methyl-pyrroline-2yl)-methanol. The product's categories are asymmetric synthesis and synthetic organic chemistry. It is white to slightly yellow crystalline powder which should avoid direct sunshine.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.595; (7)Molar Refractivity: 81.39 cm3; (8)Molar Volume: 239.5 cm3; (9)Polarizability: 32.26×10-24 cm3; (10)Surface Tension: 46.6 dyne/cm; (11)Enthalpy of Vaporization: 69.44 kJ/mol; (12)Vapour Pressure: 2.39E-07 mmHg at 25°C; (13)Rotatable Bond Count: 3; (14)Exact Mass: 268.170139; (15)MonoIsotopic Mass: 268.170139; (16)Topological Polar Surface Area: 24.7; (17)Heavy Atom Count: 20; (18)Formal Charge: 1; (19)Complexity: 287.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES: OC(c1ccccc1)(c2ccccc2)[C@H]3N(C)CCC3;
2. InChI: InChI=1/C18H21NO/c1-19-14-8-13-17(19)18(20,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17,20H,8,13-14H2,1H3/t17-/m0/s1.