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(S)-3-Amino-3-phenylpropan-1-ol

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Name

(S)-3-Amino-3-phenylpropan-1-ol

EINECS 635-104-0
CAS No. 82769-76-4 Density 1.074 g/cm3
PSA 46.25000 LogP 1.76910
Solubility N/A Melting Point 68-69 °C
Formula C9H13NO Boiling Point 293 °C at 760 mmHg
Molecular Weight 151.208 Flash Point 131 °C
Transport Information N/A Appearance colorless viscous liquid
Safety 45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 82769-76-4 ((S)-3-Amino-3-phenylpropan-1-ol) Hazard Symbols CorrosiveC
Synonyms

Benzenepropanol,g-amino-, (S)-;(3S)-3-Amino-3-phenyl-1-propanol;(S)-3-Amino-3-phenyl-1-propanol;(S)-3-Amino-3-phenylpropanol;

Article Data 58

(S)-3-Amino-3-phenylpropan-1-ol Specification

The systematic name of this chemical is (3S)-3-amino-3-phenylpropan-1-ol. With the CAS registry number 82769-76-4, it is also named as benzenepropanol, γ-amino-, (gammaS)-. The product's category is Alcohol Aldehyde & Acid Series. It is colorless viscous liquid which is used as intermediate of dapoxetine hydrochloride. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.

The other characteristics of (S)-3-Amino-3-phenylpropan-1-ol can be summarized as: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.42; (4)ACD/LogD (pH 7.4): -1.22; (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: 1.56; (14)Molar Refractivity: 45.5 cm3; (15)Molar Volume: 140.6 cm3; (16)Polarizability: 18.04×10-24cm3; (17)Surface Tension: 46.8 dyne/cm; (18)Density: 1.074 g/cm3; (19)Flash Point: 131 °C; (20)Enthalpy of Vaporization: 56.24 kJ/mol; (21)Boiling Point: 293 °C at 760 mmHg; (22)Vapour Pressure: 0.000809 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:OCC[C@H](N)c1ccccc1
2. InChI:InChI=1/C9H13NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
3. InChIKey:SEQXIQNPMQTBGN-VIFPVBQEBV

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