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4-Pentynoic acid,2-amino-2-methyl-, (2R)-

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Name

4-Pentynoic acid,2-amino-2-methyl-, (2R)-

EINECS N/A
CAS No. 403519-98-2 Density 1.159 g/cm3
PSA 63.32000 LogP 0.51200
Solubility N/A Melting Point N/A
Formula C6H9NO2 Boiling Point 250.858 °C at 760 mmHg
Molecular Weight 127.143 Flash Point 105.515 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 403519-98-2 (4-Pentynoicacid,2-amino-2-methyl-,(2R)-(9CI)) Hazard Symbols N/A
Synonyms

4-Pentynoicacid,2-amino-2-methyl-,(2R)-(9CI);(R)-alpha-Propargylalanine, (R)-2-Amino-2-methyl-4-pentynoic acid (>98%, >98%ee);H-alpha-Prg-L-Ala-OH;a-Methyl-L-Propargylglycine;α-Me-D-Gly(Propargyl)-OH

 

4-Pentynoic acid,2-amino-2-methyl-, (2R)- Specification

The 4-Pentynoic acid,2-amino-2-methyl-, (2R)-, with the CAS registry number 403519-98-2, has the systematic name (2R)-2-amino-2-methyl-pent-4-ynoic acid. Its molecular formula is C6H9NO2 and its molecular weight is 127.1412. However, this chemical is which should be kept cool and dry.

Other characteristics of the 4-Pentynoic acid,2-amino-2-methyl-, (2R)- can be summarised as followings: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 63.32 Å2; (11)Index of Refraction: 1.509; (12)Molar Refractivity: 32.739 cm3; (13)Molar Volume: 109.692 cm3; (14)Polarizability: 12.979×10-24cm3; (15)Surface Tension: 52.865 dyne/cm; (16)Density: 1.159 g/cm3; (17)Flash Point: 105.515 °C; (18)Enthalpy of Vaporization: 53.751 kJ/mol; (19)Boiling Point: 250.858 °C at 760 mmHg; (20)Vapour Pressure: 0.007 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: C[C@@](CC#C)(C(=O)O)N
2.InChI: InChI=1/C6H9NO2/c1-3-4-6(2,7)5(8)9/h1H,4,7H2,2H3,(H,8,9)/t6-/m1/s1
3.InChIKey: FSBNDYYRTZBHAN-ZCFIWIBFBW

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