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Structure

L-Lysine diisocyanate

CAS
45172-15-4
Catalog Number
ACM45172154
Category
Other Products
Molecular Weight
0
Molecular Formula
C10H14N2O4

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Specification

Synonyms
2,6-DiisocyanatoEthylCaproate;EthylEsterL-LysineDiisocyanate;Hexanoic acid,2,6-diisocyanato-, ethyl ester, (2S)-;Ethyl (S)-2,6-diisocyanatohexanoate;LDI;L-Lysine diisocyanate ethyl ester;(S)-Ethyl 2,6-diisocyanatohexanoate
Supplemental Hazard Statements
H315-H317-H319-H331-H334-H335
Symbol
GHS06,GHS08
What is the molecular formula of L-Lysine diisocyanate?

The molecular formula of L-Lysine diisocyanate is C10H14N2O4.

What is the molecular weight of L-Lysine diisocyanate?

The molecular weight of L-Lysine diisocyanate is 226.23 g/mol.

What is the IUPAC name of L-Lysine diisocyanate?

The IUPAC name of L-Lysine diisocyanate is ethyl (2S)-2,6-diisocyanatohexanoate.

What is the InChIKey of L-Lysine diisocyanate?

The InChIKey of L-Lysine diisocyanate is IGWTZHMYJZZIGC-VIFPVBQESA-N.

What is the canonical SMILES of L-Lysine diisocyanate?

The canonical SMILES of L-Lysine diisocyanate is CCOC(=O)C(CCCCN=C=O)N=C=O.

What is the CAS number of L-Lysine diisocyanate?

The CAS number of L-Lysine diisocyanate is 45172-15-4.

What is the XLogP3-AA value of L-Lysine diisocyanate?

The XLogP3-AA value of L-Lysine diisocyanate is 3.3.

How many hydrogen bond donor count does L-Lysine diisocyanate have?

L-Lysine diisocyanate has 0 hydrogen bond donor count.

How many hydrogen bond acceptor count does L-Lysine diisocyanate have?

L-Lysine diisocyanate has 6 hydrogen bond acceptor count.

How many rotatable bond count does L-Lysine diisocyanate have?

L-Lysine diisocyanate has 9 rotatable bond count.

Upstream Synthesis Route 1

  • 75-44-5
  • 62192-49-8
  • 45172-15-4

Reference: [1]Sentsova,T.N. et al.
[Doklady Chemistry, 1977, vol. 232, p. 30 - 33][Dokl. Akad. Nauk SSSR Ser. Khim., 1977, vol. 232, p. 335 - 338]

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