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36342-07-1

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Basic Information
CAS No.: 36342-07-1
Name: N-N-PROPYLMALEAMIC ACID, 98
Article Data: 5
Molecular Structure:
Molecular Structure of 36342-07-1 (N-N-PROPYLMALEAMIC ACID, 98)
Formula: C7H11NO3
Molecular Weight: 157.169
Synonyms: 2-Butenoicacid, 4-oxo-4-(propylamino)-, (Z)-;Maleamic acid, N-propyl- (6CI);N-Propylmaleamic acid;
EINECS: 252-986-9
Density: 1.136 g/cm3
Boiling Point: 376.4 °C at 760 mmHg
Flash Point: 181.5 °C
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: R36/37/38
PSA: 66.40000
LogP: 0.54430
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Specification

The 2-Butenoic acid,4-oxo-4-(propylamino)-, (2Z)- is an organic compound with the formula C7H11NO3. The IUPAC name of this chemical is (Z)-4-oxo-4-(propylamino)but-2-enoic acid. With the CAS registry number 36342-07-1, it is also named as 4-oxo-4-(propylamino)isocrotonic acid.

Physical properties about 2-Butenoic acid,4-oxo-4-(propylamino)-, (2Z)- are: (1)ACD/LogP: 0.09; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 46.61 Å2; (10)Index of Refraction: 1.486; (11)Molar Refractivity: 39.72 cm3; (12)Molar Volume: 138.2 cm3; (13)Polarizability: 15.74×10-24cm3; (14)Surface Tension: 42.3 dyne/cm; (15)Density: 1.136 g/cm3; (16)Flash Point: 181.5 °C; (17)Enthalpy of Vaporization: 68.53 kJ/mol; (18)Boiling Point: 376.4 °C at 760 mmHg; (19)Vapour Pressure: 1.05E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCCC)\C=C/C(=O)O
(2)InChI: InChI=1/C7H11NO3/c1-2-5-8-6(9)3-4-7(10)11/h3-4H,2,5H2,1H3,(H,8,9)(H,10,11)/b4-3-
(3)InChIKey: KDUIBZJVAXYHPY-ARJAWSKDBT
(4)Std. InChI: InChI=1S/C7H11NO3/c1-2-5-8-6(9)3-4-7(10)11/h3-4H,2,5H2,1H3,(H,8,9)(H,10,11)/b4-3-
(5)Std. InChIKey: KDUIBZJVAXYHPY-ARJAWSKDSA-N