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3-Amino-3-phenyl-1-propanol

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Name

3-Amino-3-phenyl-1-propanol

EINECS 221-674-4
CAS No. 14593-04-5 Density 1.074 g/cm3
PSA 46.25000 LogP 1.76910
Solubility N/A Melting Point 70-77 °C
Formula C9H13NO Boiling Point 293 °C at 760 mmHg
Molecular Weight 151.208 Flash Point 131 °C
Transport Information N/A Appearance white needles
Safety 45-36/37/39-26 Risk Codes 34
Molecular Structure Molecular Structure of 14593-04-5 (3-AMINO-3-PHENYL-1-PROPANOL) Hazard Symbols CorrosiveC
Synonyms

1-Propanol,3-amino-3-phenyl- (6CI,7CI,8CI);g-Aminobenzenepropanol;

Article Data 39

3-Amino-3-phenyl-1-propanol Specification

The 3-Amino-3-phenyl-1-propanol, with the CAS registry number 14593-04-5, is also known as Benzenepropanol, γ-amino-. Its EINECS number is 221-674-4. This chemical's molecular formula is C9H13NO and molecular weight is 151.21. Its IUPAC name is called [(1R)-1-cyclohexyl-3-hydroxypropyl]azanium. This chemical's classification code is Drug / Therapeutic Agent. This chemical is white needles.

Physical properties of 3-Amino-3-phenyl-1-propanol: (1)ACD/LogP: 0.59; (2)#H bond acceptors: 2; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 12.47 ?2; (6)Index of Refraction: 1.56; (7)Molar Refractivity: 45.5 cm3; (8)Molar Volume: 140.6 cm3; (9)Surface Tension: 46.8 dyne/cm; (10)Density: 1.074 g/cm3; (11)Melting Point: 70-77 °C; (12)Flash Point: 131 °C; (13)Enthalpy of Vaporization: 56.24 kJ/mol; (14)Boiling Point: 293 °C at 760 mmHg; (15)Vapour Pressure: 0.000809 mmHg at 25°C. 

When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Whenever you will contact it , please wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCC(CC1)C(CCO)[NH3+]
(2)Isomeric SMILES: C1CCC(CC1)[C@@H](CCO)[NH3+]
(3)InChI: InChI=1S/C9H19NO/c10-9(6-7-11)8-4-2-1-3-5-8/h8-9,11H,1-7,10H2/p+1/t9-/m1/s1
(4)InChIKey: INIIZXNMNKIITF-SECBINFHSA-O

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 387, 1967.

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