1,2-Naphthalenedione,4-amino-, hydrate (2:1) supplier

Name
2-AMINO-1,4-NAPHTHOQUINONE HEMIHYDRATE
EINECS
CAS No. 20814-38-4
Density
Solubility
Melting Point
Formula C₂₀H₁₆N₂O₅
Boiling Point 340.9 °C at 760 mmHg
Molecular Weight 364.3514
Flash Point 160 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 1,2-Naphthoquinone,4-amino-, hemihydrate (8CI);
PSA 69.39000
LogP 1.38760

1,2-Naphthalenedione,4-amino-, hydrate (2:1) Specification

The 1,2-Naphthalenedione,4-amino-, hydrate (2:1), with the CAS registry number 20814-38-4, is also known as 4-Aminonaphthalene-1,2-dione hemihydrate. This chemical's molecular formula is C₂₀H₁₆N₂O₅ and molecular weight is 364.3514. What's more, its systematic name is called 4-Aminonaphthalene-1,2-dione hydrate (2:1).

Physical properties about 1,2-Naphthalenedione,4-amino-, hydrate (2:1) are: (1) ACD/LogP: 0.81; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.81; (4) ACD/LogD (pH 7.4): 0.81; (5) ACD/BCF (pH 5.5): 2.42; (6) ACD/BCF (pH 7.4): 2.43; (7) ACD/KOC (pH 5.5): 65.4; (8) ACD/KOC (pH 7.4): 65.69; (9) #H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 37.38 Å²; (13) Flash Point: 160 °C; (14) Enthalpy of Vaporization: 58.45 kJ/mol; (15) Boiling Point: 340.9 °C at 760 mmHg; (16) Vapour Pressure: 8.32E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1c2ccccc2C(\N)=C/C1=O.O=C1c2ccccc2\C(=C/C1=O)N.O
(2) InChI: InChI=1/2C10H7NO2.H2O/c2*11-8-5-9(12)10(13)7-4-2-1-3-6(7)8;/h2*1-5H,11H2;1H2
(3) InChIKey: RVCSVNXPEGBQOI-UHFFFAOYAG

Product Name

2-AMINO-1,4-NAPHTHOQUINONE HEMIHYDRATE

1,2-Naphthalenedione,4-amino-, hydrate (2:1) Specification

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