Methyl (Z)-3-aminocrotonate supplier

Name
methyl 3-aminocrotonate
EINECS 244-549-6
CAS No. 21731-17-9
Article Data9
CAS DataBase
Density 1.031 g/cm³
Solubility insoluble
Melting Point 81-83oC
Formula C₅H₉NO₂
Boiling Point 194.1 °C at 760 mmHg
Molecular Weight 115.132
Flash Point 65.3 °C
Transport Information
Appearance
Safety
Risk Codes Xn:Harmful;
Molecular Structure
Hazard Symbols R22:; R36/37/38:;
Synonyms methyl 3-amino-crotonate; 3-Aminocrotonamide,tech.; 3-amino-2-butenoic acid,methyl ester; methyl 3-amino-2-butenoate; 2-Butenamide,3-amino; 3-amino-crotonic acid methyl ester; 3-AMino-but-2-enaMide; 3-Aminocrotonsaeureamid; 查看更多英文别名收起
PSA 52.32000
LogP 0.72220

Methyl (Z)-3-aminocrotonate Specification

The Methyl (Z)-3-aminocrotonate, with the CAS registry number 21731-17-9 and EINECS registry number 244-549-6, has the systematic name of methyl (2Z)-3-aminobut-2-enoate. And the molecular formula of this chemical is C₅H₉NO₂. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Methyl (Z)-3-aminocrotonate are as following: (1)ACD/LogP: -0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.34; (4)ACD/LogD (pH 7.4): -0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.64; (8)ACD/KOC (pH 7.4): 19.83; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 30.42 cm³; (15)Molar Volume: 111.6 cm³; (16)Polarizability: 12.06×10^-24cm³; (17)Surface Tension: 33.3 dyne/cm; (18)Density: 1.031 g/cm³; (19)Flash Point: 65.3 °C; (20)Enthalpy of Vaporization: 43.03 kJ/mol; (21)Boiling Point: 194.1 °C at 760 mmHg; (22)Vapour Pressure: 0.449 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)/C=C(\N)C
(2)InChI: InChI=1/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3-
(3)InChIKey: XKORCTIIRYKLLG-ARJAWSKDBN

Product Name

methyl 3-aminocrotonate

Methyl (Z)-3-aminocrotonate Specification

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