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Chelist Moleculee
cas:110-97-4
einecs:203-820-9
smiles:CC(O)CNCC(C)O
name:Diisopropanolamine
MW:133.1888
formula:C6H15NO2
InChi:
InChiKey:
SMARTS:
Other names
1,1'-iminodipropan-2-ol
Diisopropanolamine
1,1' -iminodipropan-2-ol

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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

ECVAM 3T3NRU CITOTOXICITY (56): Reference chemicals used in the ECVAM validation study of the 3T3 NRU basal cytotoxicity assay to identify non-classified chemicals on the basis of the 2000 mg/kg b.w. threshold. (Method Validation)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
REACH REG (15811): Reach Registrations (Regulatory)
JRC Acute Systemic Toxicity (180): The use of computational and in vitro methods for acute systemic toxicity prediction (JRC Projects)