CAS No.186393-31-7,trans-3,4-Dihydroxypyrrolidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	186393-31-7
Name:	trans-3,4-Dihydroxypyrrolidine
Article Data:	12

Formula:	C₄H₉NO₂
Molecular Weight:	103.121
Synonyms:	(3R,4R)-3,4-Dihydroxypyrrolidine;3,4-Pyrrolidinediol,(3R-trans)-;(R,R)-trans-Pyrrolidine-3,4-diol;(3R-trans)-3,4-Pyrrolidinediol;(R,R)-3,4-Dihydroxypyrrolidine;
Density:	1.309 g/cm³
Melting Point:	98-99 °C
Boiling Point:	232.305 °C at 760 mmHg
Flash Point:	144.006 °C
PSA:	52.49000
LogP:	-1.35980

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Specification

This chemical is called 3,4-Pyrrolidinediol, (3R,4R)-, and its systematic name is (3R,4R)-pyrrolidine-3,4-diol. With the molecular formula of C₄H₉NO₂, its molecular weight is 103.12. The CAS registry number of this chemical is 186393-31-7. Additionally, its product category is Pharmacetical.

Other characteristics of the 3,4-Pyrrolidinediol, (3R,4R)- can be summarised as followings: (1)ACD/LogP: -1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 52.49 Å²; (11)Index of Refraction: 1.547; (12)Molar Refractivity: 24.976 cm³; (13)Molar Volume: 78.723 cm³; (14)Polarizability: 9.901×10^-24cm³; (15)Surface Tension: 47.285 dyne/cm; (16)Density: 1.31 g/cm³; (17)Flash Point: 144.006 °C; (18)Enthalpy of Vaporization: 54.517 kJ/mol; (19)Boiling Point: 232.305 °C at 760 mmHg; (20)Vapour Pressure: 0.011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O[C@@H]1CNC[C@H]1O
2.InChI: InChI=1/C4H9NO2/c6-3-1-5-2-4(3)7/h3-7H,1-2H2/t3-,4-/m1/s1
3.InChIKey: JCZPOYAMKJFOLA-QWWZWVQMBO