Dibutadiamine
Basic information
- CAS
13366-43-3- Standard SMILES
CC(C)(C)NCCCCN- InChIKey
JAUBXQBMUWRRNS-UHFFFAOYSA-N- Molecular formula
- C8H20N2
- Average molar mass
- 144.26 g/mol
- Monoisotopic mass
- 144.16264865
Overview
structure
Names & identifiers
- Preferred name
- Dibutadiamine
- IUPAC
- N'-tert-butylbutane-1,4-diamine
- English name
- N-tert-Butyl-1,4-butanediamine
- Molecular formula
- C8H20N2
- Molecular weight
- 144.26
Names & synonyms
Dibutadiamine13366-43-3E8RYR6630HN-tert-Butylbutan-1,4-diamineDTXSID80158295RefChem:920056DTXCID1080786N'-tert-butylbutane-1,4-diamineDibutadiaminN-tert-Butyl-1,4-butanediamineUNII-E8RYR6630HSCHEMBL10247635
Show more names
JAUBXQBMUWRRNS-UHFFFAOYSA-NN1-tert-butylbutane-1,4-diamineN~1~-tert-Butylbutane-1,4-diamineN~1~-(tert-butyl)-1,4-butanediamine1,4-BUTANEDIAMINE, N1-(1,1-DIMETHYLETHYL)-
Database identifiers
- CAS
13366-43-3- PubChem CID
- 15853
- DTXSID
DTXSID80158295- UNII
- E8RYR6630H
- Nikkaji
- J8.102G
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 73.8
Physicochemical properties
- Boiling point
- 195.9 · 195.9±8.0 °C(Predicted)
- Density
- 0.833 · 0.833±0.06 g/cm3(Predicted)
- pka
- 10.63 · 10.63±0.38(Predicted)
- FDA UNII
- 8 RYR6630H · E8RYR6630H
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Related reactions
1 records
Compound notes
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