Basic information
- CAS
15871-57-5- Standard SMILES
CC1(C)CC(N)(C(=O)O)CC(C)(C)N1[O]- InChIKey
FCTFGDVLBOGMPH-UHFFFAOYSA-N- Molecular formula
- C10H19N2O3
- Average molar mass
- 215.27 g/mol
- Monoisotopic mass
- 215.13956747
Overview
TOAC is a piperidinemonocarboxylic acid and a member of aminoxyls.
Names & identifiers
- Preferred name
- 2,2,6,6-Tetramethylpiperidine-n-oxyl-4-amino-4-carboxylic acid
- IUPAC
- (4-Amino-4-carboxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl
- English name
- 2,2,6,6-Tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid
- Molecular formula
- C10H19N2O3*
- Molecular weight
- 215.27
Names & synonyms
2,2,6,6-Tetramethylpiperidine-N-oxide-4-amino-4-carboxylic acidNSC 2391274-amino-4-carboxy-2,2,6,6-tetramethyl-1-piperidinyloxyTEMPO-4-amino-4-carboxylic acidXDN8H1XM172,2,6,6-Tetramethylpiperidine-1-oxyl-4-amino-4-carboxylic acid4-Amino-4-carboxy-2,2,6,6-tetramethylpiperidine 1-oxylDTXSID70166501NSC-239127tetramethylpiperidine-N-oxyl-4-amino-4-carboxylic acidRefChem:440788DTXCID7088992
Show more names
4-AMino-4-carboxy-2,2,6,6-tetraMethylpiperidin-1-oxyl2,2,6,6-Tetramethyl-1-oxy-4-carboxy-4-aminopiperidine4-amino-4-carboxy-2,2,6,6-tetramethylpiperidine-1-oxyl4-amino-1-oxyl-2,2,6,6-tetramethylpiperidine-4-carboxylic acid
632-567-01-Piperidinyloxy, 4-amino-4-carboxy-2,2,6,6-tetramethyl-15871-57-52,2,6,6-tetramethylpiperidine-n-oxyl-4-amino-4-carboxylic acidTOAC(4-amino-4-carboxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanylTOAC; 4-Amino-4-carboxy-2,2,6,6-tetramethylpiperidine-1-oxyl4-amino-1-hydroxy-2,2,6,6-tetramethylpiperidine-4-carboxylic acid
Properties
Computed structural properties
- XLogP
- -2.3
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 230 °C · 230 °C
- Boiling point
- 355.55 °C · 355.55°C (rough estimate)
- Density
- 1.1255 · 1.1255 (rough estimate)
- refractive index
- 1.455 · 1.4550 (estimate)
- storage temp.
- 0 · 0-6°C
- solubility
- DMSO (Slightly, Heated), Water
- form
- Crystalline Powder
- color
- White to off-white
- FDA UNII
- 8 H1XM17 · XDN8H1XM17
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 37 · 37/39-26
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
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.5%)
Safety data
- hs_code
- 29333999
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 37/39-26
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesA stable free radical spin label
UsesEPR probe.
UsesThe first spin-labelled, cyclic, chiral amino acid resolved in an enantiomerically pure state
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers28 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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