Basic information
- CAS
1553-36-2- Standard SMILES
O=C(CN1CC1)NCCCCCCCCNC(=O)CN1CC1- InChIKey
ZDTDUAYRLVDHEJ-UHFFFAOYSA-N- Molecular formula
- C16H30N4O2
- Average molar mass
- 310.44 g/mol
- Monoisotopic mass
- 310.23687621
Names & identifiers
- Preferred name
- Sri-5
- IUPAC
- 2-(aziridin-1-yl)-N-[8-[[2-(aziridin-1-yl)acetyl]amino]octyl]acetamide
- English name
- N,N'-Bis(aziridineacetyl)-1,8-octamethylenediamine
- Molecular weight
- 0
Names & synonyms
SRI-51553-36-2SRI 5DTXSID30165873RefChem:185211DTXCID7088364N,N'-Bis(aziridineacetyl)-1,8-octamethylenediamineBRN 1351796Acetamide, N,N'-octamethylenebis(2-(1-aziridinyl)-1-Aziridineacetamide, N,N'-1,8-octanediylbis-N,N'-Bis(aziridinylacetyl)-1,8-octamethylenediamineNSC111716
Show more names
SC-111716N,N'-(Octamethylene)bis(1-aziridineacetamide)N,N'-(1,8-Octanediyl)bis(1-aziridineacetamide)N,N'-Bisaziridinylacetyl-1,8-octamethylenediamine
1,8-Octamethylenediamine, N,N'-bis(aziridinylacetyl)-1,8-Octylmethylenediamine,N,N'-bis(aziridinylacetyl)-NSC-111716N,N'-octamethylenebis-1-aziridineacetamide1,N,N'-bis(aziridinylacetyl)-1-AZIRIDINEACETAMIDE, N,N'-(OCTAMETHYLENE)BIS-SCHEMBL293804371, N,N'-bis(aziridinylacetyl)-
Database identifiers
- CAS
1553-36-2- PubChem CID
- 15249
- DTXSID
DTXSID30165873- Nikkaji
- J4.539J
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 450.59 °C · 450.59°C (rough estimate)
- Density
- 1.0074 · 1.0074 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 225 mg/kg MUREAV 31,115,75
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-rat: 225 mg/kg MUREAV 31,115,75
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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