Chelist Moleculee
cas:111-94-4
einecs:203-922-3
smiles:N#CCCNCCC#N
name:3,3'-Iminodipropiononitrile
MW:123.1558
formula:C6H9N3
InChi:
InChiKey:
SMARTS:
Other names
Propanenitrile, 3,3'-iminobis-
Propionitrile, 3,3'-iminodi- (8CI)
3,3'-Iminobis(propionitrile)
3,3'-Iminobis[propanenitrile]
3,3'-Iminodipropionitrile
BBCE
Bis(2-cyanoethyl)amine
Bis(β-cyanoethyl)amine
Di(2-cyanoethyl)amine
Ethanamine, 2-cyano-N-(2-cyanoethyl)-
IDPN
Iminobis(propionitrile)
N,N-Bis(2-cyanoethyl)amine
NSC 7770
β,β'-Iminodipropionitrile

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

DNT list (71): A database of developmental neurotoxicants (International Research Projects)
TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)