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2-Amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid

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Name

2-Amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid

EINECS N/A
CAS No. 99907-84-3 Density 1.24 g/cm3
PSA 81.78000 LogP 1.67490
Solubility N/A Melting Point 274-277 °C
Formula C13H17NO4 Boiling Point 476.6 °C at 760 mmHg
Molecular Weight 251.282 Flash Point 242.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 99907-84-3 (2-Amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid) Hazard Symbols N/A
Synonyms

2-Naphthalenecarboxylic acid, 2-amino-1,2,3,4-tetrahydro-5,8-dimethoxy-;

Article Data 2

2-Amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid Specification

The systematic name of 2-Amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid is 2-amino-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid. With the CAS registry number 99907-84-3, it is also named as 2-Naphthalenecarboxylic acid, 2-amino-1,2,3,4-tetrahydro-5,8-dimethoxy-. In addition, its molecular formula is C13H17NO4 and its molecular weight is 251.28. 

The other characteristics of 2-Amino-1,2,3,4-tetrahydro-5,8-dimethoxy-2-naphthalenecarboxylic acid can be summarized as: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 5; (8)H bond donors: 3; (9)Freely Rotating Bonds: 4; (10)Polar Surface Area: 81.78 Å2; (11)Index of Refraction: 1.564; (12)Molar Refractivity: 65.96 cm3; (13)Molar Volume: 202.5 cm3; (14)Polarizability: 26.14×10-24cm3; (15)Surface Tension: 49.8 dyne/cm; (16)Density: 1.24 g/cm3; (17)Flash Point: 242.1 °C; (18)Melting point: 274-277 °C; (19)Enthalpy of Vaporization: 78 kJ/mol; (20)Boiling Point: 476.6 °C at 760 mmHg; (21)Vapour Pressure: 6.82E-10 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)C1(N)Cc2c(ccc(OC)c2CC1)OC
(2)InChI:InChI=1/C13H17NO4/c1-17-10-3-4-11(18-2)9-7-13(14,12(15)16)6-5-8(9)10/h3-4H,5-7,14H2,1-2H3,(H,15,16)
(3)InChIKey:SVFFDKYNFVUNGU-UHFFFAOYAZ
(4)Std. InChI:InChI=1S/C13H17NO4/c1-17-10-3-4-11(18-2)9-7-13(14,12(15)16)6-5-8(9)10/h3-4H,5-7,14H2,1-2H3,(H,15,16)
(5)Std. InChIKey:SVFFDKYNFVUNGU-UHFFFAOYSA-N

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