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38090-53-8

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Basic Information
CAS No.: 38090-53-8
Name: TRANS-4-AMINOCROTONIC ACID
Article Data: 17
Molecular Structure:
Molecular Structure of 38090-53-8 (TRANS-4-AMINOCROTONIC ACID)
Formula: C4H7NO2
Molecular Weight: 101.105
Synonyms: 2-Butenoicacid, 4-amino-, (E)-;4-trans-Aminocrotonic acid;TACA;trans-4-Aminocrotonicacid;
EINECS: 253-547-4
Density: 1.169 g/cm3
Melting Point: 174-176 °C (decomp)
Boiling Point: 300.4 °C at 760 mmHg
Flash Point: 135.5 °C
Solubility: >20 mg/mL in water
Appearance: white solid
Safety: 22-24/25
PSA: 63.32000
LogP: 0.28620
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Specification

The 2-Butenoicacid, 4-amino-, (2E)-, with the CAS registry number 38090-53-8, is also known as 2-Butenoicacid, 4-amino-, (E)-. It belongs to the product categories of GABA/Glycine Receptor. Its EINECS registry number is 253-547-4. This chemical's molecular formula is C4H7NO2 and molecular weight is 101.1. What's more, its systematic name is (2E)-4-Aminobut-2-enoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

Physical properties about 2-Butenoicacid, 4-amino-, (2E)- are: (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.98; (4)ACD/LogD (pH 7.4): -2.98; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 25.73 cm3; (15)Molar Volume: 86.4 cm3; (16)Polarizability: 10.2×10-24 cm3; (17)Surface Tension: 49.4 dyne/cm; (18)Density: 1.169 g/cm3; (19)Flash Point: 135.5 °C; (20)Enthalpy of Vaporization: 59.45 kJ/mol; (21)Boiling Point: 300.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000265 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)/C=C/CN
(2) InChI: InChI=1/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+
(3) InChIKey: FMKJUUQOYOHLTF-OWOJBTEDBQ