CAS No.15250-41-6,(S)-(+)-1,2-Diaminopropane-N,N,N',N'-tetraacetic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15250-41-6
Name:	(S)-(+)-1,2-Diaminopropane-N,N,N',N'-tetraacetic acid
Article Data:	4

Formula:	C₁₁H₁₈N₂O₈
Molecular Weight:	306.273
Synonyms:	Aceticacid, (propylenedinitrilo)tetra-, (+)- (8CI);Glycine, N,N'-(1-methyl-1,2-ethanediyl)bis[N-(carboxymethyl)-, (S)-;(S)-PDTA;d-1,2-Diaminopropanetetraacetic acid;(S)-(+)-1,2-Diaminopropane-N,N,N',N'-tetraacetic acid;
Density:	1.505 g/cm³
Boiling Point:	604.871 °C at 760 mmHg
Flash Point:	319.615 °C
PSA:	155.68000
LogP:	-1.68270

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Specification

The (+)-1,2-Diaminopropanetetraacetic acid, with the CAS registry number 15250-41-6, is also known as Glycine, N,N'-(1-methyl-1,2-ethanediyl)bis[N-(carboxymethyl)-, (S)-. This chemical's molecular formula is C₁₁H₁₈N₂O₈ and molecular weight is 306.27. What's more, its systematic name is 2,2',2'',2'''-[(2S)-1,2-Propanediyldinitrilo]tetraacetic acid.

Physical properties of (+)-1,2-Diaminopropanetetraacetic acid are: (1)ACD/LogP: -0.482; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -5.52; (4)ACD/LogD (pH 7.4): -5.96; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 10; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 155.68 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 66.67 cm³; (15)Molar Volume: 203.496 cm³; (16)Polarizability: 26.43×10^-24cm³; (17)Surface Tension: 78.5 dyne/cm; (18)Density: 1.505 g/cm³; (19)Flash Point: 319.615 °C; (20)Enthalpy of Vaporization: 98.212 kJ/mol; (21)Boiling Point: 604.871 °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)CN(CC(=O)O)C[C@@H](N(CC(=O)O)CC(=O)O)C
(2)Std. InChI: InChI=1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t7-/m0/s1
(3)Std. InChIKey: XNCSCQSQSGDGES-ZETCQYMHSA-N