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

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    Benzenepropanol, g-amino-, (gS)-

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

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  • Casno:

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  • Casno:

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  • S-3-amino-3-phenylpropan-1-ol cas no. 82769-76-4 98%

  • Casno:

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    S-3-amino-3-phenylpropan-1-ol cas no. 82769-76-4 98%

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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