Dopamine Impurity 65

CAT: 1299-RM-D151665-02Size: 25 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RM-D151665-02Size:25 mg

Selected

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

Quick Request Actions

CAS Number

720685-14-3

Synonyms

1- (4- (4-hydroxyphenyl) butan-2-yl) -2,3-dihydro-1H-indole-5,6-dione

Molecular Formula

C18H19NO3

Molecular Weight

297.35

Target Alternative Name

Dopamine

Product Name Synonym

1- (4- (4-hydroxyphenyl) butan-2-yl) -2,3-dihydro-1H-indole-5,6-dione

Chemical Information

Dobutamine Impurity 36

CAS Number	720685-14-3
PubChem CID	176478098
IUPAC Name	1-[4-(4-hydroxyphenyl)butan-2-yl]-2,3-dihydroindole-5,6-dione
Molecular Formula	C18H19NO3
Molecular Weight	297.3
XLogP	2.2
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	526

SMILES

CC(CCC1=CC=C(C=C1)O)N2CCC3=CC(=O)C(=O)C=C32

InChI

InChI=1S/C18H19NO3/c1-12(2-3-13-4-6-15(20)7-5-13)19-9-8-14-10-17(21)18(22)11-16(14)19/h4-7,10-12,20H,2-3,8-9H2,1H3

InChIKey

YMKANOIZRMDMIZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 720685-14-3

CID: 176478098

Formula: C18H19NO3

MW: 297.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.3
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	297.13649347
Monoisotopic Mass	297.13649347
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes