3,4-Diaminobenzophenone

CAT: 0024-sc-252040Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-252040Size:5 g

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CAS Number

39070-63-8

Chemical Information

3,4-Diaminobenzophenone

CAS Number	39070-63-8
PubChem CID	135520
IUPAC Name	(3,4-diaminophenyl)-phenylmethanone
Molecular Formula	C13H12N2O
Molecular Weight	212.25
XLogP	2
Topological Polar Surface Area	69.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	248

SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)N)N

InChI

InChI=1S/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2

InChIKey

RXCOGDYOZQGGMK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39070-63-8

CID: 135520

Formula: C13H12N2O

MW: 212.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	212.25
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	212.094963011
Monoisotopic Mass	212.094963011
Topological Polar Surface Area	69.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	248
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
sc-485052	4,4'-Diaminobenzophenone
sc-276436	3,3'-Diaminobenzophenone
sc-480128A	DL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8
sc-480128	DL-Homocystine-3,3,3′,3′,4,4,4′,4′-d8
sc-322651	3,3',4,4'-Tetrachlorobenzophenone
sc-276439	3,3',4,4'-Tetramethylbiphenyl
sc-322652	3,3',4,4'-Tetrafluorobenzophenone
sc-476898	3,3,4,4-Tetrachlorosulfolane
sc-495607	3,3′,4,4′-Biphenyltetracarboxylic dianhydride
sc-289286	3,3,4,4-Tetrafluoropyrrolidine Hydrochloride