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CAS No.: | 68208-23-1 |
---|---|
Name: | 3-AMINO-3-P-TOLYL-PROPAN-1-OL |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H15NO |
Molecular Weight: | 165.235 |
Synonyms: | 3-Amino-3-p-tolyl-propan-1-ol; |
Density: | 1.052 g/cm3 |
Boiling Point: | 311 °C at 760 mmHg |
Flash Point: | 141.9 °C |
PSA: | 46.25000 |
LogP: | 2.07750 |
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The CAS registry number of Benzenepropanol,g-amino-4-methyl- is 68208-23-1. This chemical is also named as 3-Amino-3-p-tolyl-propan-1-ol. In addition, its molecular formula is C10H15NO and molecular weight is 165.23. Its systematic name is called 3-amino-3-(4-methylphenyl)propan-1-ol.
Physical properties about Benzenepropanol,g-amino-4-methyl- are: (1)ACD/LogP: 1.05; (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): 1.06; (7)#H bond acceptors: 2; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.554; (11)Molar Refractivity: 50.33 cm3; (12)Molar Volume: 156.9 cm3; (13)Surface Tension: 44.6 dyne/cm; (14)Density: 1.052 g/cm3; (15)Flash Point: 141.9 °C; (16)Enthalpy of Vaporization: 58.27 kJ/mol; (17)Boiling Point: 311 °C at 760 mmHg; (18)Vapour Pressure: 0.000248 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc(cc1)C(N)CCO
(2)InChI: InChI=1/C10H15NO/c1-8-2-4-9(5-3-8)10(11)6-7-12/h2-5,10,12H,6-7,11H2,1H3
(3)InChIKey: DLRHJVGOQVPPGF-UHFFFAOYAX