Ethylenediaminetetraacetic-d12 acid
Basic information
- CAS
203806-08-0- Standard SMILES
[2H]C([2H])(C(=O)O)N(C([2H])([2H])C(=O)O)C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C(=O)O)C([2H])([2H])C(=O)O- InChIKey
KCXVZYZYPLLWCC-LBTWDOQPSA-N- Molecular formula
- C10H16N2O8
- Average molar mass
- 304.32 g/mol
- Monoisotopic mass
- 304.16598642
Overview
See also: Edetate Disodium (annotation moved to); Edetate Sodium (annotation moved to); Ethylenediaminetetraacetic Acid (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Ethylenediaminetetraacetic-d12 acid
- IUPAC
- 2-[[2-[bis[carboxy(dideuterio)methyl]amino]-1,1,2,2-tetradeuterioethyl]-[carboxy(dideuterio)methyl]amino]-2,2-dideuterioacetic acid
- English name
- ETHYLENEDIAMINETETRAACETIC-D12 ACID
- Molecular formula
- C10H16N2O8
- Molecular weight
- 292.24
Names & synonyms
203806-08-0Ethylenediaminetetraacetic-d12 acidEDTA-d122-[[2-[bis[carboxy(dideuterio)methyl]amino]-1,1,2,2-tetradeuterioethyl]-[carboxy(dideuterio)methyl]amino]-2,2-dideuterioacetic acidC10H16N2O8Glycine-2,2-d2, N,N'-(1,2-ethanediyl-1,1,2,2-d4)bis[N-(carboxymethyl-d2)- (9CI, ACI); N,N'-(1,2-Ethanediyl-1,1,2,2-d4)bis[N-(carboxymethyl-d2)glycine-2,2-d2] (ACI)orb3138636SCHEMBL29388231HY-Y0682STMID-0847DTXSID00583949EDTA (D12, 98%)
Show more names
EDTA (D12)EDTA (D??, 98%)Ethylenediaminetetraacetic-d?? acidETHYLENEDIAMINETETRAACETIC ACID (D12)Ethylenediaminetetraacetic-d12acid99.6%
MFCD00144285AKOS025294852DA-73013CS-0542646D98843Ethylenediaminetetraacetic-d12 acid, 98 atom % D2,2',2'',2'''-[(~2~H_4_)Ethane-1,2-diyldinitrilo]tetra(~2~H_2_)acetic acidGlycine-2,2-d2, N,N'-(1,2-ethanediyl-1,1,2,2-d4)bis[N-(carboxymethyl-d2)-
Properties
Computed structural properties
- XLogP
- -5.9
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Melting point
- 250 °C · 250 °C (dec.)(lit.)
- form
- solid
- color
- White to off-white
- InChI
- 1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/i1D2,2D2,3D2,4D2,5D2,6D2
- InChIKey
- KCXVZYZYPLLWCC-LBTWDOQPSA-N
- SMILES
- [2H]C([2H])(N(C([2H])([2H])C(O)=O)C([2H])([2H])C([2H])([2H])N(C([2H])([2H])C(O)=O)C([2H])([2H])C(O)=O)C(O)=O
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 12 · NA.12
- CAS Number Unlabeled
- 60 · 60-00-4
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 305 · P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319
- Hazard Classifications
- Eye Irrit. 2
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
UsesEthylenediaminetetraacetic-d12 Acid (CAS# 203806-08-0) is a useful isotopically labeled research compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…