N-Methylcoclaurine

Catalog Number	ACM5096708
CAS Number	5096-70-8
Synonyms	D-Methylcoclaurine
Molecular Weight	299.4
InChI	InChI=1S/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3/t16-/m1/s1
InChI Key	BOKVLBSSPUTWLV-MRXNPFEDSA-N
Melting Point	184-185 °C
Purity	95%+
Complexity	356
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Exact Mass	299.15214353
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isomeric SMILES	CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)O)OC
Monoisotopic Mass	299.15214353
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	52.9 Ų

Custom Q&A

What is the chemical formula of 1α-(4-hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol?

The chemical formula is C18H21NO3.

What is the molecular weight of 1α-(4-hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol?

The molecular weight is 299.36 g/mol.

What is the melting point of 1α-(4-hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol?

The melting point is 139-139.5 °C.

What are some synonyms of 1α-(4-hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol?

Some synonyms include N-Methylcoclaurine and (S)-N-Methylcoclaurine.

Where is 1α-(4-hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol obtained from?

It is obtained from Glaucium fimbrilligerum.

What class of bases does 1α-(4-hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol belong to?

It belongs to the benzylisoquinoline class of bases.

What is the role of (S)-N-methylcoclaurine in mice?

It has a role as a mouse metabolite.

What is the full structure of 1α-(4-hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol?

The full structure has been determined from spectroscopic studies.

What is the chemical analysis of 1α-(4-hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol?

The chemical analysis shows that it contains one methoxyl group and two phenolic hydroxyl groups in the molecule.

What is the boiling point of 1α-(4-hydroxybenzyl)-2-methyl-1,2,3,4-tetrahydro-6-methoxyisoquinoline-7-ol?

The predicted boiling point is 480.9±45.0 °C.

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