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Structure

Pentaerythritol tris[3-(1-aziridinyl)propionate]

CAS
57116-45-7
Catalog Number
ACM57116457
Category
Other Products
Molecular Weight
427.49
Molecular Formula
C20H33N3O7

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Specification

Synonyms
TAZO, XAMA 7;PENTAERYTHRITOL TRIS[3-(1-AZIRIDINYL)PROPIONATE];PENTAERYTHRITOL TRIS[3-(1-AZIRIDINYL)PROPRIONATE];pentaerythritol tris(3-aziridin-1-ylpropionate);1-aziridinepropanoicacid,2-((3-(1-aziridinyl)-1-oxopropoxy)methyl)-2-(hydroxy;1-aziridinepropanoicacid,2-[[3-(1-aziridinyl)-1-oxopropoxy]methyl]-2-(hydroxy;1-Aziridinepropanoicacid,2-[[3-(1-aziridinyl)-1-oxopropoxy]methyl]-2-(hydroxymethyl)-1,3-propanediylester;methyl)-1,3-propanediylester
Flash Point
113°C
Density
1.158g/mL at 25°C(lit.)
Hazard Statements
Xi
Safety Description
26-27-36-45
What is the molecular formula of Pentaerythritol tris[3-(1-aziridinyl)propionate]?

The molecular formula is C20H33N3O7.

What is the molecular weight of Pentaerythritol tris[3-(1-aziridinyl)propionate]?

The molecular weight is 427.5 g/mol.

What is the IUPAC Name of Pentaerythritol tris[3-(1-aziridinyl)propionate]?

The IUPAC Name is [2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]-3-hydroxypropyl] 3-(aziridin-1-yl)propanoate.

What is the InChI of Pentaerythritol tris[3-(1-aziridinyl)propionate]?

The InChI is InChI=1S/C20H33N3O7/c24-13-20(14-28-17(25)1-4-21-7-8-21,15-29-18(26)2-5-22-9-10-22)16-30-19(27)3-6-23-11-12-23/h24H,1-16H2.

What is the InChIKey of Pentaerythritol tris[3-(1-aziridinyl)propionate]?

The InChIKey is KAPCRJOPWXUMSQ-UHFFFAOYSA-N.

What is the canonical SMILES of Pentaerythritol tris[3-(1-aziridinyl)propionate]?

The canonical SMILES is C1CN1CCC(=O)OCC(CO)(COC(=O)CCN2CC2)COC(=O)CCN3CC3.

What is the CAS number of Pentaerythritol tris[3-(1-aziridinyl)propionate]?

The CAS number is 57116-45-7.

What is the molecular weight of Pentaerythritol tris[3-(1-aziridinyl)propionate] according to PubChem?

The molecular weight is 427.5 g/mol.

What is the XLogP3-AA value of Pentaerythritol tris[3-(1-aziridinyl)propionate]?

The XLogP3-AA value is -1.4.

How many hydrogen bond acceptors does Pentaerythritol tris[3-(1-aziridinyl)propionate] have?

It has 10 hydrogen bond acceptors.

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