mPEG4-amine - CAS 85030-56-4

Name: mPEG4-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037415
Product Name:	mPEG4-amine
CAS:	85030-56-4
Synonyms:	m-PEG4-amine; 3,6,9,12-Tetraoxatridecylamine; 2,5,8,11-Tetraoxatridecan-13-amine; mPEG4-NH2; 3,6,9,12-Tetraoxatridecanamine; Methyl-PEG4-Amine; Triethylene glycol 2-aminoethyl methyl ether; 3,6,9,12-Tetraoxatridecane-1-amine

Technical Data

Related CAS:	80506-64-5 (polymer) 869718-87-6 (polymer)
IUPAC Name:	2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine
Description:	m-PEG4-Amine is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs).
Molecular Weight:	207.27
Molecular Formula:	C9H21NO4
Canonical SMILES:	COCCOCCOCCOCCN
InChI:	InChI=1S/C9H21NO4/c1-11-4-5-13-8-9-14-7-6-12-3-2-10/h2-10H2,1H3
InChI Key:	DQTQYVYXIOQYGN-UHFFFAOYSA-N
Boiling Point:	276.7±25.0°C at 760 mmHg
Purity:	≥95%
Density:	1.005±0.06 g/cm3 (Predicted)
Solubility:	Soluble in DMSO (10 mm)
Appearance:	Colorless to almost colorless clear liquid
Storage:	Store at 2-8°C
LogP:	0.34160

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
JP-2021096947-A	Electroluminescent element	20191217
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WO-2021077010-A1	Bifunctional molecules containing an e3 ubiquitine ligase binding moiety linked to a bcl6 targeting moiety	20191017

Complexity:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	207.14705815
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	207.14705815
Rotatable Bond Count:	11
Topological Polar Surface Area:	62.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3