Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

(3S,4S)-1-Benzylpyrrolidine-3,4-diol

Related Products

Hot Products

Name

(3S,4S)-1-Benzylpyrrolidine-3,4-diol

EINECS N/A
CAS No. 90365-74-5 Density 1.27 g/cm3
PSA 43.70000 LogP 0.16190
Solubility N/A Melting Point 94-100 °C
Formula C11H15NO2 Boiling Point 356.2 °C at 760 mmHg
Molecular Weight 193.246 Flash Point 195.1 °C
Transport Information N/A Appearance off-white to light brown powder or needles
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 90365-74-5 ((3S,4S)-1-Benzylpyrrolidine-3,4-diol) Hazard Symbols IrritantXi
Synonyms

3,4-Pyrrolidinediol,1-(phenylmethyl)-, (3S-trans)-;(+)-(3S,4S)-1-(Phenylmethyl)-3,4-pyrrolidinediol;(3S,4S)-1-(Phenylmethyl)-3,4-pyrrolidinediol;(3S,4S)-1-Benzylpyrrolidine-3,4-diol;(3S,4S)-N-Benzyl-3,4-dihydroxypyrrolidine;1-Benzyl-3,4-(S,S)-dihydroxypyrrolidine;

Article Data 42

(3S,4S)-1-Benzylpyrrolidine-3,4-diol Specification

The (3S,4S)-1-Benzylpyrrolidine-3,4-diol, with the CAS registry number 90365-74-5, is also called 3,4-Pyrrolidinediol, 1-(phenylmethyl)-, (3S,4S)-. It is a kind of off-white to light brown powder or needles, and belongs to the following product categories: Pyrrole & Pyrrolidine&Pyrroline; Chiral Building Blocks; Heterocyclic Building Blocks; Pyrrolidines. And the molecular formula of the chemical is C11H15NO2.

The characteristics of (3S,4S)-1-Benzylpyrrolidine-3,4-diol are as followings: (1)ACD/LogP: 0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 8.57; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 54.36 cm3; (15)Molar Volume: 152 cm3; (16)Polarizability: 21.55×10-24cm3; (17)Surface Tension: 64.3 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 195.1 °C; (20)Enthalpy of Vaporization: 63.47 kJ/mol; (21)Boiling Point: 356.2 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-05 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O[C@H]2CN(Cc1ccccc1)C[C@@H]2O
(2)InChI: InChI=1/C11H15NO2/c13-10-7-12(8-11(10)14)6-9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2/t10-,11-/m0/s1
(3)InChIKey: QJRIUWQPJVPYSO-QWRGUYRKBC

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 90365-74-5