CAS 140-22-7|1,3-bis(phenylamino)urea|N'',N'''-Diphenylcarbonohydrazide|1,5-diphenylcarbazide|1,5-Diphenylcarbazide|sym.-Diphenylcarbazide|1,5-二苯基卡巴肼|1,5-二苯羰酰肼|对称二苯氨基脲|sym-DIPHENYL...

General Information

Structure

Molecular Formula

C₁₃H₁₄N₄O

Molecular Mass

242.27646

Exact Mass

242.11676109

Charge

InChI

InChI=1S/C13H14N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)

InChIKey

KSPIHGBHKVISFI-UHFFFAOYSA-N

Canonic Smiles

O=C(NNc1ccccc1)NNc1ccccc1

Isomeric Smiles

C(=O)(NNc1ccccc1)NNc1ccccc1

Calculated Properties

JChem

Acid pKa

12.778579

H Acceptors

H Donor

LogD (pH = 5.5)

2.8405724

LogD (pH = 7.4)

2.8405707

Log P

2.8405724

Molar Refractivity

72.5038

Polarizability

26.379684

Polar Surface Area

65.19

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1,3-bis(phenylamino)urea

Synonyms

N'',N'''-Diphenylcarbonohydrazide1,5-Diphenylcarbazide1,5-二苯基卡巴肼sym.-Diphenylcarbazide1,5-二苯羰酰肼对称二苯氨基脲1,5-Diphenylcarbazidesym-DIPHENYLCARBAZIDE1,5-Diphenylcarbohydrazide1,5-二苯基羰酰二肼1,5-二苯基卡巴肼,ACS1,5-Diphenylcarbazide1,5-Diphenylcarbazide, ACS

IUPAC Traditional name

1,5-diphenylcarbazide

Names and Identifiers

Registration numbers

MDL Number

MFCD00003013

PubChem SID

24866500248599692485569324894160162058262

CAS Number

140-22-7

Beilstein Number

752039