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Product No: CN2491

1-Amino-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid, 98%

Name: 1-Amino-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid
Brand: Chempure

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CAS Number

756526-04-2

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About this item

IUPAC name	3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
canonical smiles	C(COCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O
inchi	InChI=1S/C19H39NO10/c20-2-4-24-6-8-26-10-12-28-14-16-30-18-17-29-15-13-27-11-9-25-7-5-23-3-1-19(21)22/h1-18,20H2,(H,21,22)
inchi key	YLKOHZCQTVYVDB-UHFFFAOYSA-N
molecular formula	C19H39NO10
synonyms	Amino-PEG8-Acid 756526-04-2 NH2-PEG9-acid H2N-PEG8-CH2CH2COOH NH2-PEG8-COOH

Computed Properties

Molecular Weight:	441.5 g/mol
XLogP3:	-4.7
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	11
Rotatable Bond Count:	26
Exact Mass:	441.25739644 g/mol
Monoisotopic Mass:	441.25739644 g/mol
Topological Polar Surface Area:	137 Å²
Heavy Atom Count:	30
Formal Charge:	0
Complexity:	349
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

1-Amino-3,6,9,12-tetraoxapentadecan-15-oic acid

Amino-PEG8-Acid

1-Amino-3,6,9,12,15,18-hexaoxahenicosan-21-oic acid

3-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)propanoic acid

Amino-PEG36-acid

4,7,10,13,16,19-Hexaoxaheneicosanoic acid, 21-amino-, methyl ester

4,7,10,13,16,19,22,25-Octaoxaheptacosanoic acid, 27-amino-, methyl ester

Methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-Aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Amino-PEG9-acid

1-Amino-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxadotetracontan-42-oic acid

NH-bis(PEG4-acid)

Acid-apeg6-acid

Ethyl 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Acetic acid;ethylazanide;fermium;methanol;methyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
canonical smiles	C(COCCOCCOCCOCCOCCOCCOCCOCCN)C(=O)O
inchi	InChI=1S/C19H39NO10/c20-2-4-24-6-8-26-10-12-28-14-16-30-18-17-29-15-13-27-11-9-25-7-5-23-3-1-19(21)22/h1-18,20H2,(H,21,22)
inchi key	YLKOHZCQTVYVDB-UHFFFAOYSA-N
molecular formula	C19H39NO10
synonyms	Amino-PEG8-Acid 756526-04-2 NH2-PEG9-acid H2N-PEG8-CH2CH2COOH NH2-PEG8-COOH

Computed Properties

Molecular Weight:	441.5 g/mol
XLogP3:	-4.7
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	11
Rotatable Bond Count:	26
Exact Mass:	441.25739644 g/mol
Monoisotopic Mass:	441.25739644 g/mol
Topological Polar Surface Area:	137 Å²
Heavy Atom Count:	30
Formal Charge:	0
Complexity:	349
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

1-Amino-3,6,9,12-tetraoxapentadecan-15-oic acid

Amino-PEG8-Acid

1-Amino-3,6,9,12,15,18-hexaoxahenicosan-21-oic acid

3-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)propanoic acid

Amino-PEG36-acid

4,7,10,13,16,19-Hexaoxaheneicosanoic acid, 21-amino-, methyl ester

4,7,10,13,16,19,22,25-Octaoxaheptacosanoic acid, 27-amino-, methyl ester

Methyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-Aminopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

Amino-PEG9-acid

1-Amino-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxadotetracontan-42-oic acid

NH-bis(PEG4-acid)

Acid-apeg6-acid

Ethyl 3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate

Acetic acid;ethylazanide;fermium;methanol;methyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CN2491

1-Amino-3,6,9,12,15,18,21,24-octaoxaheptacosan-27-oic acid, 98%

Product No: CN2491

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CN2491

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?