N-{4-[(4-chlorobenzyl)oxy]benzyl}-N-(4-piperidinylmethyl)amine
- Iupac Name:oxaldehydic acid
- CAS No.: 298-12-4
- Molecular Weight:74.04
- Modify Date.: 2022-02-11 09:05
1. Names and Identifiers
- 1.1 Name
- N-{4-[(4-chlorobenzyl)oxy]benzyl}-N-(4-piperidinylmethyl)amine
- 1.2 CAS No.
- 298-12-4
- 1.3 CID
- 760
- 1.4 Molecular Formula
- C21H21NO2 (isomer)
- 1.5 Inchi
- InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
- 1.6 InChkey
- HHLFWLYXYJOTON-UHFFFAOYSA-N
- 1.7 Canonical Smiles
- C(=O)C(=O)O
- 1.8 Isomers Smiles
- C(=O)C(=O)O
2. Properties
- 3.1 Melting point
- -93°C
- 3.1 Refractive index
- n20/D 1.414
- 3.1 Flash Point
- 202.1±28.7 °C (Predicted)
- 3.1 Vapour pressure
- 0.0331mmHg at 25°C
- 3.1 Precise Quality
- 74.00040
- 3.1 PSA
- 54.37000
- 3.1 logP
- -0.73010
3. Safety and Handling
- 4.1 Risk Statements
- 34-43-41
- 4.1 Safety Statements
- 26-36/37/39-45-37/39-24
- 4.1 Packing Group
- III
- 4.1 Hazard Class
- 8
- 4.1 RIDADR
- UN 3265 8/PG 2
- 4.1 WGK Germany
- 1
- 4.1 RTECS
- MD4550000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Corrosive to metals, Category 1
Skin sensitization, Category 1
Serious eye damage, Category 1
2.2 GHS label elements, including precautionary statements
Pictogram(s) | |
Signal word | Danger |
Hazard statement(s) | H290 May be corrosive to metals H317 May cause an allergic skin reaction H318 Causes serious eye damage |
Precautionary statement(s) | |
Prevention | P234 Keep only in original packaging. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P280 Wear protective gloves/protective clothing/eye protection/face protection. |
Response | P390 Absorb spillage to prevent material damage. P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 |
Storage | P406 Store in a corrosion resistant/...container with a resistant inner liner. |
Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 74.04g/mol
- Molecular Formula: C21H21NO2
- Compound Is Canonicalized: True
- XLogP3-AA: -0.3
- Exact Mass: 74.000393922
- Monoisotopic Mass: 74.000393922
- Complexity: 55.9
- Rotatable Bond Count: 1
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Topological Polar Surface Area: 54.4
- Heavy Atom Count: 5
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcQBAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAAAACggAIACAAAAgAIAAiQiAIAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
-
Glyoxylic acid or oxoacetic acid is an organic compound that is both an aldehyde and a carboxylic acid. Glyoxylic acid is a liquid with a melting point of -93°C and a boiling point of 111°C. It is an intermediate of the glyoxylate cycle, which enables certain organisms to convert fatty acid...
8. Realated Product Infomation