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199588-89-1

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Basic Information
CAS No.: 199588-89-1
Name: (R)-2-Amino-4-pentenoic acid t-butyl ester
Article Data: 18
Molecular Structure:
Molecular Structure of 199588-89-1 ((R)-2-Amino-4-pentenoic acid t-butyl ester)
Formula: C9H17NO2
Molecular Weight: 171.2368
Synonyms: tert-Butyl 2-aminopent-4-enoate;
Density: 0.953 g/cm3
Boiling Point: 193.547 °C at 760 mmHg
Flash Point: 64.843 °C
PSA: 52.32000
LogP: 1.93180
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Specification

The (R)-2-Amino-4-pentenoic acid t-butyl ester has CAS registry number 199588-89-1. It belongs to the product category of API Intermediates. This chemical's molecular formula is C9H17NO2 and molecular weight is 171.2368. What's more, its systematic name is tert-Butyl 2-aminopent-4-enoate.

Physical properties about (R)-2-Amino-4-pentenoic acid t-butyl ester are: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 125; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 48.704 cm3; (15)Molar Volume: 179.774 cm3; (16)Polarizability: 19.308×10-24 cm3; (17)Surface Tension: 31.371 dyne/cm; (18)Density: 0.953 g/cm3; (19)Flash Point: 64.843 °C; (20)Enthalpy of Vaporization: 42.975 kJ/mol; (21)Boiling Point: 193.547 °C at 760 mmHg; (22)Vapour Pressure: 0.462 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)C(N)C\C=C
(2) InChI: InChI=1/C9H17NO2/c1-5-6-7(10)8(11)12-9(2,3)4/h5,7H,1,6,10H2,2-4H3
(3) InChIKey: FFDXLHHMGNXXAG-UHFFFAOYAV