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Structure

1,6-Diaminohexane-N,N,N,N-tetraacetic acid

CAS
1633-00-7
Catalog Number
ACM1633007
Category
Polymer/Macromolecule
Molecular Weight
348.35
Molecular Formula
C14H24N2O8

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Specification

Synonyms
HEXAMETHYLENEDINITRILOTETRAACETIC ACID;HEXAMETHYLENEDIAMINETETRAACETIC ACID;1,6-DIAMINOHEXANE-N,N,N,N-TETRAACETIC ACID;1,6-HEXAMETHYLENEDIAMINE-N,N,N,N-TETRACETIC ACID;Glycine, N,N-1,6-hexanediylbis[N-(carboxymethyl)-;Hexamethylenediamine-N,N,N,N-tetraace
IUPAC Name
2-[6-[bis(carboxymethyl)amino]hexyl-(carboxymethyl)amino]acetic acid
Canonical SMILES
C(CCCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChI Key
YGDVXSDNEFDTGV-UHFFFAOYSA-N
Boiling Point
631.1ºC at 760mmHg
Melting Point
232-236ºC (dec.)(lit.)
Flash Point
335.5ºC
Density
1.378g/cm³
Appearance
white to off-white crystalline powder
EC Number
216-642-1
Exact Mass
348.15300
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
10
H-Bond Donor
4
Safety Description
S26-S37/39
WGK Germany
3
What is the molecular formula of 1,6-Diaminohexane-N,N,N,N-tetraacetic acid?

The molecular formula is C14H24N2O8.

What is the molecular weight of 1,6-Diaminohexane-N,N,N,N-tetraacetic acid?

The molecular weight is 348.35 g/mol.

What is the IUPAC name of 1,6-Diaminohexane-N,N,N,N-tetraacetic acid?

The IUPAC name is 2-[6-[bis(carboxymethyl)amino]hexyl-(carboxymethyl)amino]acetic acid.

What is the InChI of 1,6-Diaminohexane-N,N,N,N-tetraacetic acid?

The InChI is InChI=1S/C14H24N2O8/c17-11(18)7-15(8-12(19)20)5-3-1-2-4-6-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24).

What is the InChIKey of 1,6-Diaminohexane-N,N,N,N-tetraacetic acid?

The InChIKey is YGDVXSDNEFDTGV-UHFFFAOYSA-N.

What is the canonical SMILES of 1,6-Diaminohexane-N,N,N,N-tetraacetic acid?

The canonical SMILES is C(CCCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.

What is the CAS number of 1,6-Diaminohexane-N,N,N,N-tetraacetic acid?

The CAS number is 1633-00-7.

What is the EC number of 1,6-Diaminohexane-N,N,N,N-tetraacetic acid?

The EC number is 216-642-1.

What is the DSSTox Substance ID of 1,6-Diaminohexane-N,N,N,N-tetraacetic acid?

The DSSTox Substance ID is DTXSID00936810.

Is 1,6-Diaminohexane-N,N,N,N-tetraacetic acid a canonicalized compound?

Yes, it is a canonicalized compound.

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