Arundamine

CAT: 1596-AR-A07157-04Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07157-04Size:100 Units

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CAS Number

475977-53-8

Molecular Formula

C23H28N4O

Molecular Weight

376.50

API Name

Arundamine

Chemical Information

Arundamine

Arundamine has been reported in Arundo donax with data available.

CAS Number	475977-53-8
PubChem CID	12043482
IUPAC Name	3-[2-(dimethylamino)ethyl]-4-[3-[2-(methylamino)ethyl]indol-1-yl]-1H-indol-5-ol
Molecular Formula	C23H28N4O
Molecular Weight	376.5
XLogP	3.6
Topological Polar Surface Area	56.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	501

SMILES

CNCCC1=CN(C2=CC=CC=C21)C3=C(C=CC4=C3C(=CN4)CCN(C)C)O

InChI

InChI=1S/C23H28N4O/c1-24-12-10-17-15-27(20-7-5-4-6-18(17)20)23-21(28)9-8-19-22(23)16(14-25-19)11-13-26(2)3/h4-9,14-15,24-25,28H,10-13H2,1-3H3

InChIKey

MVAOYGGYTIEJRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 475977-53-8

CID: 12043482

Formula: C23H28N4O

MW: 376.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	376.5
XLogP3	3.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	376.22631153
Monoisotopic Mass	376.22631153
Topological Polar Surface Area	56.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	501
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
MBS5824613	Arundamine