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Chelist Moleculee
cas:101-77-9
einecs:202-974-4
smiles:Nc1ccc(Cc2ccc(N)cc2)cc1
name:4,4'- Diaminodiphenylmethane (MDA)
MW:198.2637
formula:C13H14N2
InChi:
InChiKey:
SMARTS:
Other names
Methylenedianiline/HCl
4,4'-methylenedianiline
4,4'-Methylenedianiline
4,4' -methylenedianiline

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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

TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
ECVAMes_Positives List (723): ECVAM Ames Positives List: EURL ECVAM Genotoxicity and Carcinogenicity Database of Ames Positive Chemicals (JRC Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
REACH SVHC (195): Candidate List of Substances of Very High Concern (Regulatory)
REACH REG (15811): Reach Registrations (Regulatory)