Triangularine

Catalog Number	ACM87340270
CAS Number	87340-27-0
Synonyms	CID6440796, C10410, 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2E)-, 2-Butenoic acid, 2-(hydroxymethyl)-, ((1R,7aR)-2,3,5,7a-tetrahydro-1-(((2Z)-2-methyl-1-oxo-2-butenyl)oxy)-1H-pyrrolizin-7-yl)methyl ester, (2Z)-, 87340-27-0, 87392-67-4
IUPAC Name	[(7R,8R)-7-[(E)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (Z)-2-(hydroxymethyl)but-2-enoate
Molecular Weight	335.4
Molecular Formula	C18H25NO5
InChI	InChI=1S/C18H25NO5/c1-4-12(3)17(21)24-15-7-9-19-8-6-14(16(15)19)11-23-18(22)13(5-2)10-20/h4-6,15-16,20H,7-11H2,1-3H3/b12-4-,13-5-/t15-,16-/m1/s1
InChI Key	GOENJWUGVSLZDQ-NCLHDQKXSA-N
Purity	95%+
Complexity	590
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Exact Mass	335.1732729
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isomeric SMILES	C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO
Monoisotopic Mass	335.1732729
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	76.1 Ų

Custom Q&A

What is the chemical formula of Triangularine?

The chemical formula of Triangularine is C18H25NO5.

What is the molecular weight of Triangularine?

The molecular weight of Triangularine is 335.39 g/mol.

What is the CAS number of Triangularine?

The CAS number of Triangularine is 87340-27-0.

What is the boiling point of Triangularine?

The boiling point of Triangularine is predicted to be 463.7±45.0 °C.

What is the density of Triangularine?

The density of Triangularine is predicted to be 1.20±0.1 g/cm3.

What is the pKa value of Triangularine?

The pKa value of Triangularine is predicted to be 13.58±0.10.

How is Triangularine defined in ChEBI?

Triangularine is defined in ChEBI as a member of pyrrolizines and a but-2-enoate ester.

What are some synonyms of Triangularine?

Some synonyms of Triangularine include (2Z)-2-Butenoic acid, 2-(hydroxymethyl)-, and [(1R,7aR)-2,3,5,7a-tetrahydro-1-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-1H-pyrrolizin-7-yl]methyl ester.

What is the chemical property of Triangularine related to its boiling point?

The chemical property related to the boiling point of Triangularine is that it is predicted to be 463.7±45.0 °C.

How is the molecular structure of Triangularine represented in its molecular formula?

The molecular structure of Triangularine is represented in its molecular formula by showing the number and type of atoms present in the compound, which is C18H25NO5.

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