Sarracine

Catalog Number	ACM2492093
CAS Number	2492-09-3
Molecular Weight	337.4
InChI	InChI=1S/C18H27NO5/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/h4-5,14-16,20H,6-11H2,1-3H3/b12-4-,13-5-/t14-,15-,16-/m1/s1
InChI Key	YMUQRQKYYOWGPN-SLEGRLQASA-N
Melting Point	51-52 °C
Purity	95%+
Complexity	540
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	3
Exact Mass	337.18892296
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]1[C@H](CC2)COC(=O)/C(=C\C)/CO
Monoisotopic Mass	337.18892296
PhysicalState	Powder
Rotatable Bond Count	8
Topological Polar Surface Area	76.1 Ų

Custom Q&A

What is the CAS number for Sarracine?

The CAS number for Sarracine is 2492-09-3.

What is the molecular formula of Sarracine?

The molecular formula of Sarracine is C18H27NO5.

What is the predicted melting point of Sarracine?

The predicted melting point of Sarracine is 51-52°C.

What is the predicted boiling point of Sarracine?

The predicted boiling point of Sarracine is 457.8±35.0 °C.

What is the density of Sarracine?

The density of Sarracine is 1.18±0.1 g/cm3.

What is the pKa value of Sarracine?

The pKa value of Sarracine is 13.59±0.10.

How is the structure of Sarracine determined?

The structure of Sarracine has been determined based on chemical analysis and spectroscopic investigations.

In what category of compounds does Sarracine belong?

Sarracine is a member of pyrrolizines.

What is the estimated logarithm of the partition coefficient (LogP) for Sarracine?

The estimated LogP for Sarracine is 2.769.

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