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5-Aminonaphthalene-1-carboxylic acid

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Name

5-Aminonaphthalene-1-carboxylic acid

EINECS N/A
CAS No. 32018-88-5 Density 1.353 g/cm3
PSA 63.32000 LogP 2.70140
Solubility N/A Melting Point 212.3°C
Formula C11H9NO2 Boiling Point 447.523 °C at 760 mmHg
Molecular Weight 187.198 Flash Point 224.454 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 32018-88-5 (5-AMINO-NAPHTHALENE-1-CARBOXYLIC ACID) Hazard Symbols N/A
Synonyms

1-Naphthoicacid, 5-amino- (6CI,7CI,8CI);1-Aminonaphthalene-5-carboxylic acid;5-Amino-1-naphthoic acid;

 

5-Aminonaphthalene-1-carboxylic acid Specification

The IUPAC name of 5-Aminonaphthalene-1-carboxylic acid is 5-Aminonaphthalene-1-carboxylic acid. With the CAS registry number 32018-88-5, it is also named as 1-Naphthalenecarboxylicacid, 5-amino-. The product's category is pharmacetical. In addition, its molecular formula is C11H9NO2 and its molecular weight is 187.19. 

The other characteristics of 5-Aminonaphthalene-1-carboxylic acid can be summarized as: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7; (8)ACD/KOC (pH 7.4): 1; (9)H bond acceptors: 3; (10)H bond donors: 3; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 63.32 Å2; (13)Index of Refraction: 1.731; (14)Molar Refractivity: 55.262 cm3; (15)Molar Volume: 138.359 cm3; (16)Polarizability: 21.907×10-24cm3; (17)Surface Tension: 69.208 dyne/cm; (18)Density: 1.353 g/cm3; (19)Flash Point: 224.454 °C; (20)Enthalpy of Vaporization: 74.389 kJ/mol; (21)Boiling Point: 447.523 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)c2cccc1c2cccc1N
(2)InChI:InChI=1/C11H9NO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,12H2,(H,13,14)
(3)InChIKey:FPKNJPIDCMAIDW-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C11H9NO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,12H2,(H,13,14)
(5)Std. InChIKey:FPKNJPIDCMAIDW-UHFFFAOYSA-N

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