CAS No.128850-89-5,N-[(3-TRIMETHOXYSILYL)PROPYL]ETHYLENEDIAMINE TRIACETIC ACID TRISODIUM SALT Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128850-89-5
Name:	N-[(3-TRIMETHOXYSILYL)PROPYL]ETHYLENEDIAMINE TRIACETIC ACID TRISODIUM SALT

Formula:	C₁₄H₂₅N₂Na₃O₉Si
Molecular Weight:	462.41
Synonyms:	2-Oxa-7,10-diaza-3-siladodecan-12-oicacid, 7,10-bis(carboxymethyl)-3,3-dimethoxy-, trisodium salt (9CI);N-(Trimethoxysilylpropyl)ethylenediaminetriacetic acid trisodium salt;N-[3-(Trimethoxysilyl)propyl]ethylenediaminetriacetic acid trisodium salt;
Density:	1,26 g/cm³
Boiling Point:	526.8 °C at 760 mmHg
Flash Point:	272.4 °C
Hazard Symbols:	R36/37/38:;
Risk Codes:	36/37/38
Safety:	26-36
PSA:	154.56000
LogP:	-4.89170

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Specification

The 11-Oxa-3,6-diaza-10-siladodecanoicacid, 3,6-bis(carboxymethyl)-10,10-dimethoxy-, sodium salt (1:3), with CAS registry number 128850-89-5, has the systematic name of trisodium 7,10-bis(carboxylatomethyl)-3,3-dimethoxy-2-oxa-7,10-diaza-3-siladodecan-12-oate. And the chemical formula of this chemical is C₁₄H₂₅N₂Na₃O₉Si.

Physical properties of 11-Oxa-3,6-diaza-10-siladodecanoicacid, 3,6-bis(carboxymethyl)-10,10-dimethoxy-, sodium salt (1:3): (1)ACD/LogP: 0.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.72; (4)ACD/LogD (pH 7.4): -4.15; (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: 11; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 146.07 Å²; (13)Flash Point: 272.4 °C; (14)Enthalpy of Vaporization: 87.66 kJ/mol; (15)Boiling Point: 526.8 °C at 760 mmHg; (16)Vapour Pressure: 1.65E-12 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 11-Oxa-3,6-diaza-10-siladodecanoicacid, 3,6-bis(carboxymethyl)-10,10-dimethoxy-, sodium salt (1:3) irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)CCN(CC([O-])=O)CCC[Si](OC)(OC)OC
(2)InChI: InChI=1/C14H28N2O9Si.3Na/c1-23-26(24-2,25-3)8-4-5-15(9-12(17)18)6-7-16(10-13(19)20)11-14(21)22;;;/h4-11H2,1-3H3,(H,17,18)(H,19,20)(H,21,22);;;/q;3*+1/p-3
(3)InChIKey: FRGBDYDAIWEXJX-DFZHHIFOAB
(4)Std. InChI: InChI=1S/C14H28N2O9Si.3Na/c1-23-26(24-2,25-3)8-4-5-15(9-12(17)18)6-7-16(10-13(19)20)11-14(21)22;;;/h4-11H2,1-3H3,(H,17,18)(H,19,20)(H,21,22);;;/q;3*+1/p-3
(5)Std. InChIKey: FRGBDYDAIWEXJX-UHFFFAOYSA-K