N-Benzyl-L-prolinol supplier | CasNO.53912-80-4

Name
(S)-(-)-1-BENZYL-2-PYRROLIDINEMETHANOL
EINECS
CAS No. 53912-80-4
Article Data28
CAS DataBase
Density 1.082 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO
Boiling Point 313.3 °C at 760mmHg
Molecular Weight 191.273
Flash Point 132.8 °C
Transport Information
Appearance light yellow liquid
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 23.47000
LogP 1.58120

N-Benzyl-L-prolinol 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

Product Name

(S)-(-)-1-BENZYL-2-PYRROLIDINEMETHANOL

N-Benzyl-L-prolinol Specification

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