Products Categories
CAS No.: | 103201-78-1 |
---|---|
Name: | trans-4-Cyclohexyl-L-proline |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C11H19NO2 |
Molecular Weight: | 197.277 |
Synonyms: | L-Proline,4-cyclohexyl-, trans-; |
EINECS: | 600-406-3 |
Density: | 1.114 g/cm3 |
Melting Point: | 260-262 °C(Solv: methanol (67-56-1); ethyl ether (60-29-7)) |
Boiling Point: | 343.919 °C at 760 mmHg |
Flash Point: | 161.797 °C |
PSA: | 49.33000 |
LogP: | 1.95820 |
What can I do for you?
Get Best Price
The IUPAC name of L-Proline,4-cyclohexyl-, (4S)- is (2S,4S)-4-cyclohexylpyrrolidine-2-carboxylic acid. With the CAS registry number 103201-78-1, it is also named as trans-4-Cyclohexyl-L-proline. The product's categories are Pharmaceutical Intermediates; Organic Materials; Intermediates. In addition, its molecular formula is C11H19NO2 and its molecular weight is 197.28.
The other characteristics of L-Proline,4-cyclohexyl-, (4S)- can be summarized as: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (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): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.33 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 53.616 cm3; (15)Molar Volume: 177.102 cm3; (16)Polarizability: 21.255×10-24cm3; (17)Surface Tension: 43.911 dyne/cm; (18)Density: 1.114 g/cm3; (19)Flash Point: 161.797 °C; (20)Enthalpy of Vaporization: 64.596 kJ/mol; (21)Boiling Point: 343.919 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@H]2NC[C@H](C1CCCCC1)C2
(2)InChI: InChI=1/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
(3)InChIKey: XRZWVSXEDRYQGC-ZJUUUORDBX
(4)Std. InChI: InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1
(5)Std. InChIKey: XRZWVSXEDRYQGC-ZJUUUORDSA-N