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Amelogenin 1 (humantyrosine-rich) (9CI) structure
Amelogenin 1 (humantyrosine-rich) (9CI) structure

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