CAS No.215054-80-1,(S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	215054-80-1
Name:	(S)-2-AMINO-5-(1,3-DIOXOLAN-2-YL)-PENTANOIC ACID
Article Data:	1

Formula:	C₈H₁₅NO₄
Molecular Weight:	189.211
Synonyms:	(S)-2-Amino-5-(1,3-dioxolan-2-yl)-pentanoic acid;
Density:	1.208 g/cm³
Melting Point:	>200 °C (decomp)
Boiling Point:	338.72 °C at 760 mmHg
Flash Point:	158.653 °C
PSA:	81.78000
LogP:	0.64180

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Specification

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