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138472-01-2

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Basic Information
CAS No.: 138472-01-2
Name: NOR-3
Article Data: 3
Molecular Structure:
Molecular Structure of 138472-01-2 (NOR-3)
Formula: C8H13N3O4
Molecular Weight: 215.209
Synonyms: (2E,3E)-4-Ethyl-2-(hydroxyimino)-5-nitrohex-3-enamide;(E)-4-Ethyl-2-[(E)-hydroxyimino]-5-nitro-hex-3-enoic acid amide;
Density: 1.33 g/cm3
Boiling Point: 428.2 °C at 760 mmHg
Flash Point: 212.7 °C
Hazard Symbols: ToxicT
Risk Codes: 25
Safety: 45
PSA: 110.50000
LogP: 1.30910
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Specification

The CAS registry number of 3-Hexenamide,4-ethyl-2-(hydroxyimino)-5-nitro-, (2E,3E)- is 138472-01-2. The systematic name is (2E,3E)-4-ethyl-2-(hydroxyimino)-5-nitrohex-3-enamide. In addition, the molecular formula is C8H13N3O4 and the molecular weight is 215.21. What's more, it should be stored in sealed container, and put in a cool and dry place.

Physical properties about 3-Hexenamide,4-ethyl-2-(hydroxyimino)-5-nitro-, (2E,3E)- are: (1)ACD/LogP: 1.18; (2)ACD/LogD (pH 5.5): 1.13; (3)ACD/LogD (pH 7.4): 0.15; (4)ACD/BCF (pH 5.5): 4.17; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 93.54; (7)ACD/KOC (pH 7.4): 9.76; (8)#H bond acceptors: 7; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 87.72 Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 51.37 cm3; (14)Molar Volume: 161.1 cm3; (15)Polarizability: 20.36 ×10-24cm3; (16)Surface Tension: 51.6 dyne/cm; (17)Density: 1.33 g/cm3; (18)Flash Point: 212.7 °C; (19)Enthalpy of Vaporization: 78.9 kJ/mol; (20)Boiling Point: 428.2 °C at 760 mmHg; (21)Vapour Pressure: 3.98E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. During using it, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)C(\C(=C\C(=N/O)C(=O)N)CC)C
(2)InChI: InChI=1/C8H13N3O4/c1-3-6(5(2)11(14)15)4-7(10-13)8(9)12/h4-5,13H,3H2,1-2H3,(H2,9,12)/b6-4+,10-7+
(3)InChIKey: MZAGXDHQGXUDDX-AGLLBGTNBJ