CAS No.14235-54-2,3-[(2-AMINOETHYL)AMINO]PROPANESULFONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14235-54-2
Name:	3-[(2-AMINOETHYL)AMINO]PROPANESULFONIC ACID
Article Data:	2

Formula:	C₅H₁₄N₂O₃S
Molecular Weight:	182.244
Synonyms:	3-[(2-Aminoethyl)amino]propanesulfonic acid;
Density:	1.282 g/cm³
Melting Point:	215 °C
PSA:	100.80000
LogP:	0.98460

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Specification

The 1-Propanesulfonic acid,3-[(2-aminoethyl)amino]-, with the CAS registry number 14235-54-2, is also known as 3-[(2-Aminoethyl)amino]propanesulfonic acid. This chemical's molecular formula is C₅H₁₄N₂O₃S and molecular weight is 182.2413. Its systematic name is called 3-[(2-aminoethyl)amino]propane-1-sulfonic acid.

Physical properties of 1-Propanesulfonic acid,3-[(2-aminoethyl)amino]-: (1)ACD/LogP: -2.73; (2)ACD/LogD (pH 5.5): -6; (3)ACD/LogD (pH 7.4): -5.29; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.514; (12)Molar Refractivity: 42.82 cm³; (13)Molar Volume: 142.1 cm³; (14)Surface Tension: 55.5 dyne/cm; (15)Density: 1.282 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)CCCNCCN
(2)InChI: InChI=1/C5H14N2O3S/c6-2-4-7-3-1-5-11(8,9)10/h7H,1-6H2,(H,8,9,10)
(3)InChIKey: JEBGZJNUOUAZNX-UHFFFAOYAV