25D-Nbome hydrochloride

CAT: 0926-PLC26635-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-PLC26635-01Size:25 mg

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CAS Number

1539266-35-7

MDL Number

MFCD30186959

Smiles

CC1=CC (=C (C=C1OC) CCNCC2=CC=CC=C2OC) OC.Cl

Molecular Formula

C19H26ClNO3

Molecular Weight

351.9 g/mol

Controlled

Yes

Chemical Information

25D-Nbome hydrochloride

CAS Number	1539266-35-7
PubChem CID	121230756
IUPAC Name	2-(2,5-dimethoxy-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine;hydrochloride
Molecular Formula	C19H26ClNO3
Molecular Weight	351.9
Topological Polar Surface Area	39.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	24
Formal Charge	0
Complexity	326

SMILES

CC1=CC(=C(C=C1OC)CCNCC2=CC=CC=C2OC)OC.Cl

InChI

InChI=1S/C19H25NO3.ClH/c1-14-11-19(23-4)15(12-18(14)22-3)9-10-20-13-16-7-5-6-8-17(16)21-2;/h5-8,11-12,20H,9-10,13H2,1-4H3;1H

InChIKey

KJRUHRVUUSGHFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1539266-35-7

CID: 121230756

Formula: C19H26ClNO3

MW: 351.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	351.1601214
Monoisotopic Mass	351.1601214
Topological Polar Surface Area	39.7 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	326
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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