Chelist Moleculee
JRC CODE:JRC-000743
cas:106-50-3
einecs:203-404-7
smiles:Nc1ccc(N)cc1
name:Paraphenylenediamine (PPD)
MW:108.1411
formula:C6H8N2
InChi:
InChiKey:
SMARTS:

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH REG (14803): Reach Registrations (Regulatory)
ECVAM COSEU SKIN SENSITIZATION (16): Chemicals for the Development and Evaluation of In Vitro Methods for Skin Sensitisation Testing (Method Validation)