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Name |
1,3-Dioxolane-2-pentanoicacid, a-amino-, (aS)- |
EINECS | N/A |
CAS No. | 215054-80-1 | Density | 1.208 g/cm3 |
PSA | 81.78000 | LogP | 0.64180 |
Solubility | N/A | Melting Point |
>200 °C (decomp) |
Formula | C8H15NO4 | Boiling Point | 338.72 °C at 760 mmHg |
Molecular Weight | 189.211 | Flash Point | 158.653 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(S)-2-Amino-5-(1,3-dioxolan-2-yl)-pentanoic acid; |
Article Data | 1 |
The 1,3-Dioxolane-2-pentanoicacid, a-amino-, (aS)-, with the CAS registry number 215054-80-1, is also known as (S)-2-Amino-5-(1,3-dioxolan-2-yl)-pentanoic acid. This chemical's molecular formula is C8H15NO4 and molecular weight is 189.209. What's more, its systematic name is 5-(1,3-Dioxolan-2-yl)-L-norvaline.
Physical properties about 1,3-Dioxolane-2-pentanoicacid, a-amino-, (aS)- are: (1)ACD/LogP: -0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4; (4)ACD/LogD (pH 7.4): -4; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 81.78 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 45.329 cm3; (15)Molar Volume: 156.574 cm3; (16)Polarizability: 17.97×10-24 cm3; (17)Surface Tension: 52.287 dyne/cm; (18)Density: 1.208 g/cm3; (19)Flash Point: 158.653 °C; (20)Enthalpy of Vaporization: 63.974 kJ/mol; (21)Boiling Point: 338.72 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](N)CCCC1OCCO1
(2) InChI: InChI=1/C8H15NO4/c9-6(8(10)11)2-1-3-7-12-4-5-13-7/h6-7H,1-5,9H2,(H,10,11)/t6-/m0/s1
(3) InChIKey: RQULWPSGQYZREI-LURJTMIEBR