CAS No.53912-80-4,(S)-(-)-1-BENZYL-2-PYRROLIDINEMETHANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	53912-80-4
Name:	(S)-(-)-1-BENZYL-2-PYRROLIDINEMETHANOL
Article Data:	28

Formula:	C₁₂H₁₇NO
Molecular Weight:	191.273
Synonyms:	2-Pyrrolidinemethanol,1-(phenylmethyl)-, (S)-;(-)-(S)-1-Benzylpyrrolidine-2-methanol;(2S)-1-(Phenylmethyl)-2-pyrrolidinemethanol;(2S)-1-Benzyl-2-hydroxymethylpyrrolidine;(2S)-1-Benzylpyrrolidin-2-ylmethanol;(2S)-N-Benzyl-2-hydroxymethylpyrrolidine;(S)-(-)-Benzyl-2-pyrrolidinemethanol;(S)-(-)-N-Benzylpyrrolidine-2-methanol;(S)-(1-Benzylpyrrolidin-2-yl)methanol;(S)-1-Benzyl-2-pyrrolidinemethanol;(S)-N-Benzylprolinol;S-2-Hydroxymethyl-1-benzylpyrrolidine;
Density:	1.082 g/cm³
Boiling Point:	313.3 °C at 760mmHg
Flash Point:	132.8 °C
Appearance:	light yellow liquid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	23.47000
LogP:	1.58120

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Specification

The N-Benzyl-L-prolinol is an organic compound with the formula C₁₂H₁₇NO. The systematic name of this chemical is [(2S)-1-benzylpyrrolidin-2-yl]methanol. With the CAS registry number 53912-80-4, it is also named as 2-Pyrrolidinemethanol, 1-(phenylmethyl)-, (2S)-. Additionally, it is light yellow liquid which should be sealed in the container and stored at the temperature of 2-8°C.

The other characteristics of N-Benzyl-L-prolinol can be summarized as: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 12.47 ?2; (7)Index of Refraction: 1.563; (8)Molar Refractivity: 57.4 cm³; (9)Molar Volume: 176.6 cm³; (10)Polarizability: 22.75×10^-24 cm³; (11)Surface Tension: 44.3 dyne/cm; (12)Density: 1.082 g/cm³; (13)Flash Point: 132.8 °C; (14)Enthalpy of Vaporization: 58.53 kJ/mol; (15)Boiling Point: 313.3 °C at 760 mmHg; (16)Vapour Pressure: 0.000213 mmHg at 25°C.

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[C@H]2N(Cc1ccccc1)CCC2
2. InChI:InChI=1/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1
3. InChIKey:ZAIQBJPTOXDDKA-LBPRGKRZBO