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Pentaerythritol tris(3-(1-aziridinyl)propionate) - Solid content 99%, high purity , CAS No.57116-45-7

COA

Grade & Purity:

Solid content 99%

Cas Number: 57116-45-7
Molecular Weight: 427.5
MDL number: MFCD01757346
PubChem CID: 92667
PubChem SID: 504756126

In stock

Item Number

P304028

Grouped product items
SKU	Size	Availability	Price
P304028-5g	5g	5	$13.90
P304028-10g	10g	3	$19.90
P304028-25g	25g	3	$31.90
P304028-100g	100g	3	$62.90

Basic Description

Synonyms	Pentaerythritoltris(3-(1-aziridinyl)propionate) \| CS-0158335 \| Tox21_302250 \| Xama 7 \| BCP18152 \| EINECS 260-568-2 \| 3-(aziridin-1-yl)propanoate; 2,2-bis(hydroxymethyl)propane-1,3-diol;Pentaerythritol tris(3-(1-aziridinyl)propionate) \| CAS-57116-45-7 \| SC
Specifications & Purity	Solid content 99%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Tricarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Tricarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Tricarboxylic acids and derivatives
Alternative Parents	Trialkylamines Carboxylic acid esters Amino acids and derivatives Aziridines Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Tricarboxylic acid or derivatives - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Aziridine - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504756126
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756126
IUPAC Name	[2,2-bis[3-(aziridin-1-yl)propanoyloxymethyl]-3-hydroxypropyl] 3-(aziridin-1-yl)propanoate
INCHI	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
InChIKey	KAPCRJOPWXUMSQ-UHFFFAOYSA-N
Smiles	C1CN1CCC(=O)OCC(CO)(COC(=O)CCN2CC2)COC(=O)CCN3CC3
Isomeric SMILES	C1CN1CCC(=O)OCC(CO)(COC(=O)CCN2CC2)COC(=O)CCN3CC3
PubChem CID	92667
Molecular Weight	427.5

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
K2109468	Certificate of Analysis	Sep 09, 2024	P304028
K2109469	Certificate of Analysis	Sep 09, 2024	P304028
K2109524	Certificate of Analysis	Sep 09, 2024	P304028
K2110242	Certificate of Analysis	Sep 09, 2024	P304028

Chemical and Physical Properties

Flash Point(°C)	281.8°C
Boil Point(°C)	542.3°C at 760 mmHg
Molecular Weight	427.500 g/mol
XLogP3	-1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	19
Exact Mass	427.232 Da
Monoisotopic Mass	427.232 Da
Topological Polar Surface Area	108.000 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	524.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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