Lepidiline A

CAT: 1596-AR-L01346-02Size: 25 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-L01346-02Size:25 Units

Selected

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

Quick Request Actions

CAS Number

596093-98-0

Synonyms

1,3-dibenzyl-4,5-dimethyl-2,3-dihydro-1H-imidazol-1-iumchloride

Molecular Formula

C19H21N2.Cl

Molecular Weight

277.39 35.45

API Name

Lepidiline

Chemical Information

Lepidiline A

Lepidiline A is a flavonolignan.

CAS Number	596093-98-0
PubChem CID	404702
IUPAC Name	1,3-dibenzyl-4,5-dimethylimidazol-1-ium chloride
Molecular Formula	C19H21ClN2
Molecular Weight	312.8
Topological Polar Surface Area	8.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	275

SMILES

CC1=C([N+](=CN1CC2=CC=CC=C2)CC3=CC=CC=C3)C.[Cl-]

InChI

InChI=1S/C19H21N2.ClH/c1-16-17(2)21(14-19-11-7-4-8-12-19)15-20(16)13-18-9-5-3-6-10-18;/h3-12,15H,13-14H2,1-2H3;1H/q+1;/p-1

InChIKey

ZATWGHMQWRXUNZ-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 596093-98-0

CID: 404702

Formula: C19H21ClN2

MW: 312.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	312.1393264
Monoisotopic Mass	312.1393264
Topological Polar Surface Area	8.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	275
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