Name: 1-AMINO-3-PHENOXY-PROPAN-2-OL
SKU: 4287-19-8

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Organic Chemicals (2)
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Basic Information

Molecular Structure:
CAS No.:	4287-19-8
Name:	1-AMINO-3-PHENOXY-PROPAN-2-OL
Article Data:	12

Formula:	C₉H₁₃NO₂
Molecular Weight:	167.208
Synonyms:	1-Amino-3-phenoxypropan-2-ol;1-Phenoxy-3-aminopropan-2-ol;2-Hydroxy-3-phenoxypropylamine;3-Amino-1-phenoxy-2-propanol;3-Phenoxy-2-hydroxypropanamine;3-Phenoxy-2-hydroxypropylamine;Phenoxypropanolamine;
Density:	1.129 g/cm³
Melting Point:	145-147 ºC
Boiling Point:	330.2 °C at 760 mmHg
Flash Point:	153.5 °C
Solubility:	soluble in water
Appearance:	white powder
Hazard Symbols:	Xi
Risk Codes:	R21; R22; R34; R37; R38; R41
PSA:	55.48000
LogP:	1.08530

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Specification

The 2-Propanol,1-amino-3-phenoxy-, with the CAS registry number 4287-19-8, is also known as 3-Amino-1-phenoxy-2-propanol. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₉H₁₃NO₂ and molecular weight is 167.21. What's more, its systematic name is 1-amino-3-phenoxypropan-2-ol.

Physical properties of 2-Propanol,1-amino-3-phenoxy- are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.05; (4)ACD/LogD (pH 7.4): -0.45; (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): 3.99; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 21.7 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 47.22 cm³; (15)Molar Volume: 148 cm³; (16)Polarizability: 18.72×10^-24cm³; (17)Surface Tension: 46.5 dyne/cm; (18)Density: 1.129 g/cm³; (19)Flash Point: 153.5 °C; (20)Enthalpy of Vaporization: 60.46 kJ/mol; (21)Boiling Point: 330.2 °C at 760 mmHg; (22)Vapour Pressure: 6.76E-05 mmHg at 25°C.

Preparation of 2-Propanol,1-amino-3-phenoxy-: this chemical can be prepared by 2,2,2-trifluoro-N-(2-hydroxy-3-phenoxy-propyl)-acetamide at the temperature of 0 °C. This reaction will need reagent NaOH and solvents tetrahydrofuran, H₂O with the reaction time of 1 hour. It's a reaction of hydrolysis. The yield is about 95%.

2-Propanol,1-amino-3-phenoxy- can be prepared by 2,2,2-trifluoro-N-(2-hydroxy-3-phenoxy-propyl)-acetamide at the temperature of 0 °C.

Uses of 2-Propanol,1-amino-3-phenoxy-: it can be used to produce 1-benzothiazol-2-ylamino-3-phenoxy-propan-2-ol at the temperature of 120 - 130 °C. The reaction time is 2.5 hours. The yield is about 93%.

2-Propanol,1-amino-3-phenoxy- can be used to produce 1-benzothiazol-2-ylamino-3-phenoxy-propan-2-ol at the temperature of 120 - 130 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)OCC(CN)O
(2)InChI: InChI=1S/C9H13NO2/c10-6-8(11)7-12-9-4-2-1-3-5-9/h1-5,8,11H,6-7,10H2
(3)InChIKey: JZEHWMUIAKALDN-UHFFFAOYSA-N