Products Categories
CAS No.: | 572923-27-4 |
---|---|
Name: | (S)-2-P-TOLYLAMINO-BUTAN-1-OL |
Molecular Structure: | |
Formula: | C11H17NO |
Molecular Weight: | 179.26 |
Synonyms: | (2S)-2-(4-Methylanilino)butan-1-ol; |
Density: | 1.038 g/cm3 |
Boiling Point: | 316.1 °C at 760 mmHg |
Flash Point: | 121.9 °C |
PSA: | 32.26000 |
LogP: | 2.25080 |
What can I do for you?
Get Best Price
The 1-Butanol,2-[(4-methylphenyl)amino]-, (2S)-, with the CAS registry number 572923-27-4, is also known as (2S)-2-(p-Tolylamino)butan-1-ol. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C11H17NO and molecular weight is 179.26. What's more, its IUPAC name is called (2S)-2-(4-Methylanilino)butan-1-ol.
Physical properties about 1-Butanol,2-[(4-methylphenyl)amino]-, (2S)- are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 2.15; (5)#H bond acceptors: 2; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 32.26 Å2; (9)Index of Refraction: 1.563; (10)Molar Refractivity: 56.07 cm3; (11)Molar Volume: 172.5 cm3; (12)Surface Tension: 41.2 dyne/cm; (13)Density: 1.038 g/cm3; (14)Flash Point: 121.9 °C; (15)Enthalpy of Vaporization: 58.85 kJ/mol; (16)Boiling Point: 316.1 °C at 760 mmHg; (17)Vapour Pressure: 0.000176 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC[C@@H](CO)Nc1ccc(C)cc1
(2) InChI: InChI=1/C11H17NO/c1-3-10(8-13)12-11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3/t10-/m0/s1
(3) InChIKey: CSWSSCJOWSVXOA-JTQLQIEIBU