-
Name
PRODAN
- EINECS
- CAS No. 70504-01-7
- Article Data3
- CAS DataBase
- Density 1.085 g/cm3
- Solubility
- Melting Point 137 °C(lit.)
- Formula C15H17NO
- Boiling Point 386.157 °C at 760 mmHg
- Molecular Weight 227.306
- Flash Point 150.15 °C
- Transport Information
- Appearance
- Safety 22-24/25
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Propionyl-6-dimethylaminonaphthalene;6-Propionyl-2-(N,N-dimethylamino)naphthalene;6-Propionyl-2-(dimethylamino)naphthalene;6-propanoyl-2-(N,N-dimethylamino)naphthalene;Prodan;Prodan (fluorophore);1-(6-(Dimethylamino)naphthalen-2-yl)propan-1-one;1-[6-(Dimethylamino)-2-naphthyl]propan-1-one;1-Propanone, 1-(6-(dimethylamino)-2-naphthalenyl)-;1-propanone, 1-[6-(dimethylamino)-2-naphthalenyl]-;6-Propionyl-2-(dimethylamino)naphthalene;
- PSA 20.31000
- LogP 3.49850
1-Propanone,1-[6-(dimethylamino)-2-naphthalenyl]- Specification
The 1-Propanone,1-[6-(dimethylamino)-2-naphthalenyl]-, with the CAS registry number 70504-01-7, has the systematic name and IUPAC name of 1-[6-(dimethylamino)naphthalen-2-yl]propan-1-one. And the molecular formula of the chemical is C15H17NO. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
The characteristics of 1-Propanone,1-[6-(dimethylamino)-2-naphthalenyl]- are as followings: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.299; (4)ACD/LogD (pH 7.4): 3.326; (5)ACD/BCF (pH 5.5): 186.596; (6)ACD/BCF (pH 7.4): 198.356; (7)ACD/KOC (pH 5.5): 1443.703; (8)ACD/KOC (pH 7.4): 1534.684; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 73.07 cm3; (15)Molar Volume: 209.578 cm3; (16)Polarizability: 28.967×10-24cm3; (17)Surface Tension: 43.458 dyne/cm; (18)Density: 1.085 g/cm3; (19)Flash Point: 150.15 °C; (20)Enthalpy of Vaporization: 63.506 kJ/mol; (21)Boiling Point: 386.157 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCC(=O)c1ccc2cc(ccc2c1)N(C)C
(2)InChI: InChI=1/C15H17NO/c1-4-15(17)13-6-5-12-10-14(16(2)3)8-7-11(12)9-13/h5-10H,4H2,1-3H3
(3)InChIKey: MPPQGYCZBNURDG-UHFFFAOYAU
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