DRB18

CAT: 0127-BUP08052-03Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP08052-03Size:25 mg

Selected

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

Quick Request Actions

CAS Number

2863686-81-9

Purity

=98%

Smiles

CC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)Cl)NCC3=CC(=C(C=C3)C)O)O

Chemical Information

5,5'-(((4-Chloro-1,2-phenylene)bis(azanediyl))bis(methylene))bis(2-methylphenol)

CAS Number	2863686-81-9
PubChem CID	154824629
IUPAC Name	5-[[4-chloro-2-[(3-hydroxy-4-methylphenyl)methylamino]anilino]methyl]-2-methylphenol
Molecular Formula	C22H23ClN2O2
Molecular Weight	382.9
XLogP	5.5
Topological Polar Surface Area	64.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	27
Formal Charge	0
Complexity	452

SMILES

CC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)Cl)NCC3=CC(=C(C=C3)C)O)O

InChI

InChI=1S/C22H23ClN2O2/c1-14-3-5-16(9-21(14)26)12-24-19-8-7-18(23)11-20(19)25-13-17-6-4-15(2)22(27)10-17/h3-11,24-27H,12-13H2,1-2H3

InChIKey

WNTAQMQIZGJASL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2863686-81-9

CID: 154824629

Formula: C22H23ClN2O2

MW: 382.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	382.9
XLogP3	5.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	382.1448057
Monoisotopic Mass	382.1448057
Topological Polar Surface Area	64.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	452
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	1
Compound Is Canonicalized	Yes

Catalog	Name
BA6715-10	DRB18