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57400-89-2

Basic Information
CAS No.: 57400-89-2
Name: 4-(3-AMINOPROPYL)PHENOL
Article Data: 5
Molecular Structure:
Molecular Structure of 57400-89-2 (4-(3-AMINOPROPYL)PHENOL)
Formula: C9H13NO
Molecular Weight: 151.208
Synonyms: 4-(3-Aminopropyl)phenol HCl;
EINECS: 604-604-1
Density: 1.073 g/cm3
Melting Point: 103 °C
Boiling Point: 288.4 °C at 760 mmHg
Flash Point: 128.2 °C
PSA: 46.25000
LogP: 1.98380
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Specification

The Phenol,4-(3-aminopropyl)-, with the CAS registry number of 57400-89-2, is also known as 4-(3-Aminopropyl)phenol HCl. It belongs to the product category of pharmacetical. This chemical's molecular formula is C9H13NO and molecular weight is 151.21. What's more, its systematic name is 4-(3-Aminopropyl)phenol.

Physical properties about the Phenol,4-(3-aminopropyl)- are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1.67; (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: 5; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 45.85 cm3; (15)Molar Volume: 140.8 cm3; (16)Surface Tension: 46.4 dyne/cm; (17)Density: 1.073 g/cm3; (18)Flash Point: 128.2 °C; (19)Enthalpy of Vaporization: 54.88 kJ/mol; (20)Boiling Point: 288.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00135 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1)CCCN
(2) InChI: InChI=1/C9H13NO/c10-7-1-2-8-3-5-9(11)6-4-8/h3-6,11H,1-2,7,10H2
(3) InChIKey: AEMHLIHHQUOOGP-UHFFFAOYAS