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Basic Information
CAS No.: 22205-09-0
Name: 4-(4-AMINOBUTYL)PHENOL
Molecular Structure:
Molecular Structure of 22205-09-0 (4-(4-AMINOBUTYL)PHENOL)
Formula: C10H15NO
Molecular Weight: 165.235
Synonyms: 4-(4-AMINOBUTYL)PHENOL
Density: 1.05 g/cm3
Melting Point: 106-108 °C
Boiling Point: 315.275 °C at 760 mmHg
Flash Point: 144.473 °C
PSA: 46.25000
LogP: 2.37390
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Specification

The Phenol, 4-(4-aminobutyl)- has CAS registry number 22205-09-0. This chemical's molecular formula is C10H15NO and molecular weight is 165.2322. What's more, its systematic name is 4-(4-Aminobutyl)phenol.

Physical properties about the Phenol, 4-(4-aminobutyl)- are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -1; (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: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 46.25 Å2; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 50.485 cm3; (15)Molar Volume: 157.371 cm3; (16)Surface Tension: 44.952 dyne/cm; (17)Density: 1.05 g/cm3; (18)Flash Point: 144.473 °C; (19)Enthalpy of Vaporization: 57.868 kJ/mol; (20)Boiling Point: 315.275 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1)CCCCN
(2) InChI: InChI=1/C10H15NO/c11-8-2-1-3-9-4-6-10(12)7-5-9/h4-7,12H,1-3,8,11H2
(3) InChIKey: IHTJVDOGLJMYTC-UHFFFAOYAH