Disperse Blue 183:1

CAT: 0926-FD166981Size: 5 KgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FD166981Size:5 Kg

Selected

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

Quick Request Actions

CAS Number

2537-62-4

Smiles

CCN (CC) C1=CC (=C (C=C1) N=NC2=C (C=C (C=C2Br) [N+] (=O) [O-]) C#N) NC (=O) C

Molecular Formula

C19H19BrN6O3

Molecular Weight

459.3 g/mol

Controlled

Chemical Information

Acetamide, N-[2-[2-(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]-

CAS Number	2537-62-4
PubChem CID	75677
IUPAC Name	N-[2-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]acetamide
Molecular Formula	C19H19BrN6O3
Molecular Weight	459.3
XLogP	4
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	656

SMILES

CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C#N)NC(=O)C

InChI

InChI=1S/C19H19BrN6O3/c1-4-25(5-2)14-6-7-17(18(10-14)22-12(3)27)23-24-19-13(11-21)8-15(26(28)29)9-16(19)20/h6-10H,4-5H2,1-3H3,(H,22,27)

InChIKey

KTXMBTRTVMMWQS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2537-62-4

CID: 75677

Formula: C19H19BrN6O3

MW: 459.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	459.3
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	458.07020
Monoisotopic Mass	458.07020
Topological Polar Surface Area	127 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	656
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
FD166983-01	Disperse blue 183
FD182043-01	Disperse blue 7
FD41401	Disperse Blue 366
FD182050-01	Disperse blue 124
FD173073-01	Disperse Blue 79
FD40699-01	Disperse Blue 14, technical grade dye content
FD40695	Disperse blue 60, technical grade dye content
FD167569-01	Disperse red 1
FD41305-01	Disperse yellow 241
FD41154-01	Disperse Orange 11