Coclaurine Impurity 3 HCl

CAT: 1596-AR-C08203-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C08203-01Size:10 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

77354-33-7

Molecular Formula

C19H23NO3. HCl

Molecular Weight

313.40 36.46

API Name

Coclaurine

Chemical Information

Coclaurine Impurity 3 HCl

CAS Number	77354-33-7
PubChem CID	131859193
IUPAC Name	6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline;hydrochloride
Molecular Formula	C19H24ClNO3
Molecular Weight	349.8
Topological Polar Surface Area	39.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	357

SMILES

COC1=CC=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC.Cl

InChI

InChI=1S/C19H23NO3.ClH/c1-21-15-6-4-13(5-7-15)10-17-16-12-19(23-3)18(22-2)11-14(16)8-9-20-17;/h4-7,11-12,17,20H,8-10H2,1-3H3;1H

InChIKey

VVMJVFNHGFSLKA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77354-33-7

CID: 131859193

Formula: C19H24ClNO3

MW: 349.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	349.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	349.1444713
Monoisotopic Mass	349.1444713
Topological Polar Surface Area	39.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	357
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes