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CAS No.: | 32923-88-9 |
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Name: | 3-ISOBUTOXY PROPYLAMINE |
Molecular Structure: | |
Formula: | C7H17NO |
Molecular Weight: | 131.218 |
Synonyms: | Propylamine,3-isobutoxy- (7CI,8CI);3-Isobutoxy-1-propanamine;3-Isobutoxy-1-propylamine;1-Propanamine,3-(2-methylpropoxy)-;NSC 158329; |
EINECS: | 251-298-6 |
Density: | 0.849 g/cm3 |
Boiling Point: | 181.9 °C at 760 mmHg |
Flash Point: | 55 °C |
PSA: | 35.25000 |
LogP: | 1.70810 |
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The 3-Isobutoxypropylamine, with the CAS registry number 32923-88-9, is also known as 1-Propanamine,3-(2-methylpropoxy)-. Its EINECS number is 251-298-6. This chemical's molecular formula is C7H17NO and molecular weight is 131.22. What's more, its systematic name is 3-(2-methylpropoxy)propan-1-amine.
Physical properties of 3-Isobutoxypropylamine are: (1)ACD/LogP: 0.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.1; (4)ACD/LogD (pH 7.4): -1.3; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 39.71 cm3; (15)Molar Volume: 154.4 cm3; (16)Polarizability: 15.74×10-24cm3; (17)Surface Tension: 28.4 dyne/cm; (18)Density: 0.849 g/cm3; (19)Flash Point: 55 °C; (20)Enthalpy of Vaporization: 41.82 kJ/mol; (21)Boiling Point: 181.9 °C at 760 mmHg; (22)Vapour Pressure: 0.832 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(CCCN)CC(C)C
(2)InChI: InChI=1S/C7H17NO/c1-7(2)6-9-5-3-4-8/h7H,3-6,8H2,1-2H3
(3)InChIKey: REJGIEGOYWEWPR-UHFFFAOYSA-N