Products Categories
CAS No.: | 454476-59-6 |
---|---|
Name: | 4-Amino-3,5-dimethylbenzenepropanol |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H17NO |
Molecular Weight: | 179.25 |
Synonyms: | 4-Amino-3,5-dimethylbenzenepropanol; |
Density: | 1.048 g/cm3 |
Boiling Point: | 331.278 °C at 760 mmHg |
Flash Point: | 154.152 °C |
PSA: | 46.25000 |
LogP: | 2.39170 |
What can I do for you?
Get Best Price
The 4-Amino-3,5-dimethylbenzenepropanol has CAS registry number 454476-59-6. Its molecular formula is C11H17NO and molecular weight is 179.25. What's more, its systematic name is 3-(4-Amino-3,5-dimethylphenyl)propan-1-ol.
Physical properties about the 4-Amino-3,5-dimethylbenzenepropanol are: (1)ACD/LogP: 1.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 143; (8)ACD/KOC (pH 7.4): 159; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 55.856 cm3; (15)Molar Volume: 171.094 cm3; (16)Surface Tension: 44.342 dyne/cm; (17)Density: 1.048 g/cm3; (18)Flash Point: 154.152 °C; (19)Enthalpy of Vaporization: 60.582 kJ/mol; (20)Boiling Point: 331.278 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc(CCCO)cc(C)c1N
(2) InChI: InChI=1/C11H17NO/c1-8-6-10(4-3-5-13)7-9(2)11(8)12/h6-7,13H,3-5,12H2,1-2H3
(3) InChIKey: ZOLHJKXYRQTXFY-UHFFFAOYAS