tert-Butyl 3-aminopropanoate supplier

Name
tert-butyl 3-aminopropanoate
EINECS
CAS No. 15231-41-1
Article Data15
CAS DataBase
Density 0.959 g/cm³
Solubility
Melting Point
Formula C₇H₁₅NO₂
Boiling Point 192.3 °C at 760 mmHg
Molecular Weight 145.202
Flash Point 63.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms b-Alanine, tert-butyl ester (8CI);3-Aminopropionic acid tert-butyl ester;tert-Butyl 3-aminopropanoate;tert-Butyl 3-aminopropionate;
PSA 52.32000
LogP 1.37720

tert-Butyl 3-aminopropanoate Specification

The cas register number of tert-Butyl 3-aminopropanoate is 15231-41-1. It also can be called as 3-Aminopropionic acid tert-butyl ester and the Systematic name about this chemical is tert-butyl β-alaninate.

Physical properties about tert-Butyl 3-aminopropanoate are: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -0.45; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.49; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 29.54Å²; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 39.75 cm³; (14)Molar Volume: 151.2 cm³; (15)Polarizability: 15.76x10^-24cm³; (16)Surface Tension: 31.8 dyne/cm; (17)Enthalpy of Vaporization: 42.85 kJ/mol; (18)Vapour Pressure: 0.493 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)CCN
(2)InChI: InChI=1/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3
(3)InChIKey: ZJXHVYSDMUKUCA-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)4-5-8/h4-5,8H2,1-3H3
(5)Std. InChIKey: ZJXHVYSDMUKUCA-UHFFFAOYSA-N

Product Name

tert-butyl 3-aminopropanoate

tert-Butyl 3-aminopropanoate Specification

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