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| CAS No.: | 83728-78-3 |
|---|---|
| Name: | (S)-2-(ethylamino)butan-1-ol |
| Molecular Structure: | |
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| Formula: | C6H15NO |
| Molecular Weight: | 117.191 |
| Synonyms: | (S)-2-(Ethylamino)butan-1-ol;1-Butanol, 2-(ethylamino)-, (2S)-; |
| Density: | 0.872 g/cm3 |
| Boiling Point: | 191.4 °C at 760 mmHg |
| Flash Point: | 72.1 °C |
| PSA: | 32.26000 |
| LogP: | 0.75770 |
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Specification
The systematic name of (S)-2-Ethylamino-1-butanol is (2S)-2-(ethylamino)butan-1-ol. With the CAS registry number 83728-78-3, it is also named as 1-Butanol, 2-(ethylamino)-, (2S)-. In addition, its molecular formula is C6H15NO and its molecular weight is 117.19.
The other characteristics of (S)-2-Ethylamino-1-butanol can be summarized as: (1)ACD/LogP: 0.44; (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: 2; (8)H bond donors: 2; (9)Freely Rotating Bonds: 5; (10)Polar Surface Area: 32.26 Å2; (11)Index of Refraction: 1.433; (12)Molar Refractivity: 34.93 cm3; (13)Molar Volume: 134.2 cm3; (14)Polarizability: 13.84×10-24cm3; (15)Surface Tension: 29.5 dyne/cm; (16)Density: 0.872 g/cm3; (17)Flash Point: 72.1 °C; (18)Enthalpy of Vaporization: 49.76 kJ/mol; (19)Boiling Point: 191.4 °C at 760 mmHg; (20)Vapour Pressure: 0.138 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:CC[C@@H](CO)NCC
(2)InChI:InChI=1/C6H15NO/c1-3-6(5-8)7-4-2/h6-8H,3-5H2,1-2H3/t6-/m0/s1
(3)InChIKey:BMTAVLCPOPFWKR-LURJTMIEBS
(4)Std. InChI:InChI=1S/C6H15NO/c1-3-6(5-8)7-4-2/h6-8H,3-5H2,1-2H3/t6-/m0/s1
(5)Std. InChIKey:BMTAVLCPOPFWKR-LURJTMIESA-N