Basic information
- Name:
Benzenepropanol, g-amino-, (gS)-
- Superlist Name:
- (S)-3-Amino-3-phenylpropan-1-ol
- CAS No.:
82769-76-4
- Molecular Structure:
- Formula:
- C9H13NO
- Molecular Weight:
- 151.21
- Synonyms:
- Benzenepropanol,g-amino-, (S)-;(3S)-3-Amino-3-phenyl-1-propanol;(S)-3-Amino-3-phenyl-1-propanol;(S)-3-Amino-3-phenylpropanol;
- Density:
- 1.074 g/cm3
- Boiling Point:
- 293 °C at 760 mmHg
- Flash Point:
- 131 °C
- Appearance:
- colorless viscous liquid
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 45-36/37/39-26 Details
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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
