N-Methylcoclaurine

CAS Registry Number®

3423-07-2
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CAS Name

N-Methylcoclaurine

Molecular Formula

C18H21NO3

Molecular Mass

299.36

Cite this Page

N-Methylcoclaurine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3423-07-2 (retrieved 2024-05-02) (CAS RN: 3423-07-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    139-139.5 °C

Source(s)

Other Names and Identifiers

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-/m0/s1

InChIKey

InChIKey=BOKVLBSSPUTWLV-INIZCTEOSA-N

SMILES

C([C@H]1C=2C(=CC(OC)=C(O)C2)CCN1C)C3=CC=C(O)C=C3

Canonical SMILES

OC1=CC=C(C=C1)CC2C3=CC(O)=C(OC)C=C3CCN2C

Other Names for this Substance

  • 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-, (1S)-
  • Coclaurine, 2-methyl-
  • 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-, (S)-
  • Coclaurine, N-methyl-
  • (1S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol

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Deleted or Replaced CAS Registry Numbers

1397-10-0, 4062-29-7, 5096-69-5

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