DEPBT

CAT: 0926-FD15562-02Size: 50 gDry Ice: NoHazardous: No

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CAT#:0926-FD15562-02Size:50 g

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CAS Number

165534-43-0

Synonyms

3- (Diethoxyphosphoryloxy) -1,2,3-benzotriazin-4 (3H) -one

MDL Number

MFCD01236967

Smiles

CCOP (=O) (OCC) ON1C (=O) C2=CC=CC=C2N=N1

Molecular Formula

C11H14N3O5P

Molecular Weight

299.22 g/mol

Controlled

Chemical Information

3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one

a coupling reagent for mediating amide bond formation with little or no racemization; structure in first source

CAS Number	165534-43-0
PubChem CID	4293995
IUPAC Name	diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate
Molecular Formula	C11H14N3O5P
Molecular Weight	299.22
XLogP	1.1
Topological Polar Surface Area	89.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	420

SMILES

CCOP(=O)(OCC)ON1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C11H14N3O5P/c1-3-17-20(16,18-4-2)19-14-11(15)9-7-5-6-8-10(9)12-13-14/h5-8H,3-4H2,1-2H3

InChIKey

AJDPNPAGZMZOMN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 165534-43-0

CID: 4293995

Formula: C11H14N3O5P

MW: 299.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.22
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	299.06710755
Monoisotopic Mass	299.06710755
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	420
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
4029249.0100	DEPBT
20889478	3- (Diethoxyphosphoryloxy) -1,2,3-benzotriazin-4- (3H) -one (DEPBT)
16312-01	DEPBT (3- (Diethoxyphosphoryloxy) -1,2,3-benzotriazin-4 (3H) -one) extrapure, 98%