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71460-15-6

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Basic Information
CAS No.: 71460-15-6
Name: (R)-2-Amino-4-pentynoic acid t-butyl ester
Article Data: 10
Molecular Structure:
Molecular Structure of 71460-15-6 ((R)-2-Amino-4-pentynoic acid t-butyl ester)
Formula: C9H15NO2
Molecular Weight: 169.224
Synonyms: tert-Butyl 2-aminopent-4-ynoate;
Density: 1.005 g/cm3
Boiling Point: 233.343 °C at 760 mmHg
Flash Point: 99.853 °C
PSA: 52.32000
LogP: 1.37900
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Specification

The (R)-2-Amino-4-pentynoic acid t-butyl ester has CAS registry number 71460-15-6. It belongs to the product category of API Intermediates. This chemical's molecular formula is C9H15NO2 and molecular weight is 169.2209. What's more, its systematic name is tert-Butyl 2-aminopent-4-ynoate.

Physical properties about (R)-2-Amino-4-pentynoic acid t-butyl ester are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.475; (4)ACD/LogD (pH 7.4): 1.109; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.058; (7)ACD/KOC (pH 5.5): 21.79; (8)ACD/KOC (pH 7.4): 93.697; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 52.32 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 46.807 cm3; (15)Molar Volume: 168.445 cm3; (16)Polarizability: 18.556×10-24 cm3; (17)Surface Tension: 37.004 dyne/cm; (18)Density: 1.005 g/cm3; (19)Flash Point: 99.853 °C; (20)Enthalpy of Vaporization: 47.005 kJ/mol; (21)Boiling Point: 233.343 °C at 760 mmHg; (22)Vapour Pressure: 0.056 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)[C@@H](CC#C)N
(2) InChI: InChI=1/C9H15NO2/c1-5-6-7(10)8(11)12-9(2,3)4/h1,7H,6,10H2,2-4H3/t7-/m1/s1
(3) InChIKey: SCWSRJDAGCBOBP-SSDOTTSWBN