Basic information
- CAS
1188-47-2- Standard SMILES
O=C([O-])CN(CC(=O)[O-])CC(=O)O.[Cu+2]- InChIKey
KHWIJHRBPWWNAJ-UHFFFAOYSA-L- Molecular formula
- C6H7CuNO6
- Average molar mass
- 252.67 g/mol
- Monoisotopic mass
- 251.956934
Overview
RN given returns to parent cpd
Names & identifiers
- Preferred name
- Cuprate(1-), (N,N-bis((carboxy-kappaO)methyl)glycinato(3-)-kappaN,kappaO)-, hydrogen (1:1), (T-4)-
- IUPAC
- copper 2-[carboxylatomethyl(carboxymethyl)amino]acetate
Names & synonyms
CUPRIC NITRILOTRIACETATECopper nitrilotriacetateD034E84B7S34831-02-2GLYCINE, N,N-BIS(CARBOXYMETHYL)-, COPPER(2+) SALT (1:1)Copper nitrilotriacetic acidCOPPER (2+) NTACuprate(1-), (N,N-bis(carboxymethyl)glycinato(3-)-N,O,O',O'')-, hydrogen, (T-4)-Cu-NTARefChem:128832252-233-4CUPRATE(1-), (N,N-BIS((CARBOXY-KAPPAO)METHYL)GLYCINATO(3-)-KAPPAN,KAPPAO)-, HYDROGEN (1:1), (T-4)-
Show more names
Acetic acid, nitrilotri-, copper(2+) salt (1:1)1188-47-2Hydrogen (N,N-bis(carboxymethyl)glycinato(3-)-N,O,O',O'')cuprate(1-)DTXSID90152244KHWIJHRBPWWNAJ-UHFFFAOYSA-LAKOS004909376COPPER NITRILOTRIACETIC ACID [HSDB]COPPER, (HYDROGEN NITRILOTRIACETATO)-
Database identifiers
- CAS
1188-47-2、34831-02-2- PubChem CID
- 36938
- DTXSID
DTXSID90152244- UNII
- D034E84B7S
- EC Number
- 252-233-4
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 198
Experimental & physicochemical properties
Chemical ClassesMetals -> Organic Acids, Metal Salts
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards Summary
There is inadequate evidence in humans for the carcinogenicity of nitrilotriacetic acid and its salts. [IARC] NTA complexes of mercury, cadmium, and nickel degrade more slowly than complexes of lead, zinc, and iron; Undegraded NTA may accumulate in the environment; [HSDB] See Copper.
OSHA StandardsPermissible Exposure Limit: Table Z-1 8-hr Time Weighted Avg: 1 mg/cu m. /Copper dusts and mists (as Cu)/
NIOSH RecommendationsRecommended Exposure Limit: 10 Hr Time-Weighted Avg: 1 mg/cu m. /Copper (dusts and mists)/
Clean Water Act RequirementsToxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. /Copper and cmpd/
State Drinking Water Guidelines(AZ) ARIZONA 1300 ug/l /Copper/
Federal Drinking Water StandardsEPA 1300 ug/l (Action Level) /Copper/
Federal Drinking Water GuidelinesEPA 1000 ug/l /Copper/
Safety & protection
Exposure Control and Personal Protection0.01 [mg/m3], respirable fraction (Cu, inorganic cmpnds)[German Research Foundation (DFG)]
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Threshold Limit Values (TLV)
1.0 [mg/m3], as Cu
8 hr Time Weighted Avg (TWA): 1 mg/cu m /Copper dusts and mists, as Cu/
Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded. /Copper dusts and mists, as Cu/
Permissible Exposure Limit (PEL)1.0 [mg/m3], as Cu
Immediately Dangerous to Life or Health (IDLH)100.0 [mg/m3], as Cu
Toxicology
Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
Environmental BiodegradationA NITRILOTRIACETATE (NTA)-DEGRADING PSEUDOMONAS SPECIES WAS SHOWN TO DEGRADE CA, MN, MG, CU, ZN, CD, FE, & NA CHELATES OF NTA @ NEARLY EQUAL RATES WHEN THE APPROPRIATE METAL CONCN ARE LOW ENOUGH TO AVOID TOXICITY FROM THE FREED METAL.
Non-Human Toxicity ExcerptsTOXICITIES OF CU CHELATES WITH NTA & EDTA WERE 1-3 FOLD LESS THAN THAT OF UNCHELATED CU ION.
Evidence for Carcinogenicity
Evaluation: There is inadequate evidence in humans for the carcinogenicity of nitrilotriacetic acid and its salts. There is sufficient evidence in experimental animals for the carcinogenicity of nitrilotriacetic acid and its sodium salts. Overall evaluation: Nitrilotriacetic acid and its salts are possibly carcinogenic in humans (Group 2B). /Nitrilotriacetic acid and its salts/
Regulatory information
Clean Water Act RequirementsToxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. /Copper and cmpd/
State Drinking Water Guidelines(AZ) ARIZONA 1300 ug/l /Copper/
Federal Drinking Water StandardsEPA 1300 ug/l (Action Level) /Copper/
Federal Drinking Water GuidelinesEPA 1000 ug/l /Copper/
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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