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119720-60-4

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Basic Information
CAS No.: 119720-60-4
Name: RAC THREO-3-AMINONONAN-2-OL
Molecular Structure:
Molecular Structure of 119720-60-4 (RAC THREO-3-AMINONONAN-2-OL)
Formula: C9H21NO
Molecular Weight: 159.272
Synonyms: Rac threo-3-aminononan-2-ol;
Density: 0.89 g/cm3
Boiling Point: 262.193 °C at 760 mmHg
Flash Point: 112.371 °C
Appearance: brown oil
PSA: 46.25000
LogP: 2.36520
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Specification

The (2R, 3R)-3-Aminononan-2-ol, with the CAS registry number 119720-60-4, is also known as Rac threo-3-aminononan-2-ol. It belongs to the product categories of Aromatics Compounds; Aromatics; Chiral Reagents. This chemical's molecular formula is C9H21NO and molecular weight is 159.27. What's more, its systematic name is (2R, 3R)-3-Aminononan-2-ol.

Physical properties about (2R, 3R)-3-Aminononan-2-ol are: (1)ACD/LogP: 1.77; (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: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 46.25 Å2; (11)Index of Refraction: 1.457; (12)Molar Refractivity: 48.732 cm3; (13)Molar Volume: 179.033 cm3; (14)Polarizability: 19.319×10-24 cm3; (15)Surface Tension: 33.509 dyne/cm; (16)Density: 0.89 g/cm3; (17)Flash Point: 112.371 °C; (18)Enthalpy of Vaporization: 58.065 kJ/mol; (19)Boiling Point: 262.193 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCCC[C@H]([C@@H](C)O)N
(2) InChI: InChI=1/C9H21NO/c1-3-4-5-6-7-9(10)8(2)11/h8-9,11H,3-7,10H2,1-2H3/t8-,9-/m1/s1
(3) InChIKey: SKURPTBUALFOED-RKDXNWHRBH