Basic information
- CAS
817-11-8- Standard SMILES
O=C(O)CCN(CCC(=O)O)CCC(=O)O- InChIKey
IWTIBPIVCKUAHK-UHFFFAOYSA-N- Molecular formula
- C9H15NO6
- Average molar mass
- 233.22 g/mol
- Monoisotopic mass
- 233.0899372
Names & identifiers
- Preferred name
- Nitrilotripropionic acid
- IUPAC
- 3-[bis(2-carboxyethyl)amino]propanoic acid
- English name
- 3,3',3''-Nitrilotripropionic acid
- Molecular formula
- C9H15NO6
- Molecular weight
- 233.22
Names & synonyms
3,3',3''-Nitrilotripropionic Acid817-11-83,3',3''-nitrilotripropanoic acid3-[bis(2-carboxyethyl)amino]propanoic acidNITRILOTRIPROPIONIC ACIDYO42Z8V5HGbeta-Alanine, N,N-bis(2-carboxyethyl)-UNII-YO42Z8V5HGNITRILOTRIS(PROPIONIC ACID)NSC 145698NSC-145698DTXSID70231248
Show more names
NTP3,3',3'-NITRILOTRIPROPIONIC ACIDN,N-Bis(2-carboxyethyl)-β-alanine3,3',3''-Nitrilotrispropionic acid3,3',3''-Nitrilotrispropanoic acidβ-Alanine, N,N-bis(2-carboxyethyl)-
N,N-BIS(2-CARBOXYETHYL)-.BETA.-ALANINEPROPIONIC ACID, 3,3',3''-NITRILOTRI-.BETA.-ALANINE, N,N-BIS(2-CARBOXYETHYL)-3-(BIS(2-CARBOXYETHYL)AMINO)PROPANOIC ACIDRefChem:202293N,N-BIS(2-CARBOXYETHYL)-BETA-ALANINEDTXCID70153739678-277-8
Database identifiers
- CAS
817-11-8- PubChem CID
- 98537
- DTXSID
DTXSID70231248- UNII
- YO42Z8V5HG
- EC Number
- 678-277-8
- Nikkaji
- J208.787A
Properties
Computed structural properties
- XLogP
- -3.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Physicochemical properties
- Boiling point
- 502.1 · 502.1±45.0 °C(Predicted)
- Density
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 3.1 · 3.10±0.14(Predicted)
- form
- powder to crystal
- color
- White to Almost white
- FDA UNII
- 42 Z8V5HG · YO42Z8V5HG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 2922.49 · 2922.49.8000
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
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 2922.49.8000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
UsesNitrilotripropionic Acid is a propionic NTA analog.
Suppliers34 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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