1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

CAS: 6429-04-5

Formula: C20H26ClNO4

SMILES: [Cl-].COC1=CC=C(CC2[NH2+]CCC3=CC(OC)=C(OC)C=C23)C=C1OC

IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride

InChI: InChI=1/C20H25NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12,16,21H,7-9H2,1-4H3;1H

Composition: C (63.24%), H (6.90%), Cl (9.33%), N (3.69%), O (16.85%)

Molar Mass: 379.88

Atom Count: 52

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	379.155036
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VMPLLPIDRGXFTQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.92
Topological Polar Surface Area	53.53
Polarizability	37.92
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	CAS		UnitPrice
98%	<14 Days	6429-04-5		Quote Only

Struchem co.,ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
99%	<5 Days	6429-04-5		$600.00-$647.00$600.00$647.00