Amelogenin 1 (humantyrosine-rich) (9CI)
- Iupac Name:calcium;octadecanoate
- CAS No.: 1592-23-0
- Molecular Weight:607.0166
- Modify Date.: 2022-03-19 08:49
1. Names and Identifiers
- 1.1 Name
- Amelogenin 1 (humantyrosine-rich) (9CI)
- 1.2 Synonyms
Amelogenin1 (ox leucine-rich), 29-de-L-methionine-32-L-proline-34-L-tyrosine-35-L-serine-37-L-tyrosine-38-glycine-39-L-tyrosine-39a-endo-L-glutamicacid-41-L-methionine-42-glycine-42a-glycine-42b-L-tryptophan- L-Tryptophan,L-methionyl-L-prolyl-L-leucyl-L-prolyl-L-prolyl-L-histidyl-L-prolylglycyl-L-histidyl-L-prolylglycyl-L-tyrosyl-L-isoleucyl-L-asparaginyl-L-phenylalanyl-L-seryl-L-tyrosyl-L-a-glutamyl-L-valyl-L-leucyl-L-threonyl-L-prolyl-L-leucyl-L-lysyl-L-tryptophyl-L-tyrosyl-L-glutaminyl-L-seryl-L-isoleucyl-L-arginyl-L-prolyl-L-prolyl-L-tyrosyl-L-seryl-L-prolyl-L-tyrosylglycyl-L-tyrosyl-L-a-glutamyl-L-prolyl-L-methionylglycylglycyl-
- 1.3 CAS No.
- 1592-23-0
- 1.4 CID
- 15324
- 1.5 Molecular Formula
- C19H17NO (isomer)
- 1.6 Inchi
- InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
- 1.7 InChkey
- CJZGTCYPCWQAJB-UHFFFAOYSA-L
- 1.8 Canonical Smiles
- CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]
- 1.9 Isomers Smiles
- CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]
2. Properties
- 3.1 Melting point
- 145 - 160
- 3.1 Boiling point
- 457.4°Cat760mmHg
- 3.1 Precise Quality
- 606.49000
- 3.1 PSA
- 52.60000
- 3.1 logP
- 12.51080
3. Safety and Handling
- 4.1 Risk Statements
- R20/21/22
- 4.1 Safety Statements
- S22;S24/25
- 4.1 Packing Group
- Z01
- 4.1 RIDADR
- 无资料?
- 4.1 WGK Germany
- -
- 4.1 RTECS
- WI3000000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
Pictogram(s) | No symbol. |
Signal word | No signal word. |
Hazard statement(s) | none |
Precautionary statement(s) | |
Prevention | none |
Response | none |
Storage | none |
Disposal | none |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 607.0166g/mol
- Molecular Formula: C19H17NO
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 606.4900016
- Monoisotopic Mass: 606.4900016
- Complexity: 196
- Rotatable Bond Count: 30
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Topological Polar Surface Area: 80.3
- Heavy Atom Count: 41
- 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: 3
- CACTVS Substructure Key Fingerprint: AAADcfB8OAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Realated Product Infomation