Echitamine

Catalog Number	ACM6871449
CAS Number	6871-44-9
Structure
Synonyms	(16R)-3β,17-Dihydroxy-16-methoxycarbonyl-4-methyl-2,4(1H)-cyclo-3,4-secoakuammilan-4-ium
Molecular Weight	385.5
InChI	InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20-,21-,22-,24/m0/s1
InChI Key	AFJPGVUCVDCFPM-MLIPYVIESA-N
Melting Point	206 °C
Purity	95%+
Complexity	740
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Exact Mass	385.21273241
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isomeric SMILES	C/C=C\1/C[N+]2(CC[C@@]34[C@@]2([C@H](C[C@@H]1[C@@]3(CO)C(=O)OC)O)NC5=CC=CC=C45)C
Monoisotopic Mass	385.21273241
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	78.8 Ų

Custom Q&A

What is the chemical formula for echitamine?

The chemical formula for echitamine is C22H29N2O4.

What is the molecular weight of echitamine?

The molecular weight of echitamine is 385.481.

What is the melting point of echitamine?

The melting point of echitamine is 206°C.

In what solvents is echitamine soluble?

Echitamine is soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.

What is the boiling point of echitamine (rough estimate)?

The boiling point of echitamine is 524.62°C (rough estimate).

What is the density of echitamine (rough estimate)?

The density of echitamine is 1.2125 (rough estimate).

What is the refractive index of echitamine (estimate)?

The refractive index of echitamine is 1.6300 (estimate).

What are some synonyms for echitamine?

Some synonyms for echitamine include Echetamine base, Nsc296565, and 13H-3,8a-Methano-1H-azepino[1',2':1,2]pyrrolo[2,3-b]indolium.

What is the CAS number for echitamine?

The CAS number for echitamine is 6871-44-9.

What is the molecular structure of echitamine?

The molecular structure of echitamine is cyclo-3,4-secoakuammilanium with hydroxy and methoxycarbonyl groups at specific positions.

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