Basic information
- CAS
1867-72-7- Standard SMILES
CC(C)(C)[NH2+]CCCC[NH3+].[Cl-].[Cl-]- InChIKey
JFKDTPNZOJXSNR-UHFFFAOYSA-N- Molecular formula
- C8H22Cl2N2
- Average molar mass
- 217.18 g/mol
- Monoisotopic mass
- 216.1160041
Names & identifiers
- Preferred name
- Dibutadiamin dihydrochloride
- IUPAC
- 4-azaniumylbutyl(tert-butyl)azanium dichloride
Names & synonyms
Dibutadiamin dihydrochlorideCI-5051867-72-7DAB9RW5FZDRefChem:920055N-tert-Butyl-1,4-butanediamine dihydrochloride1,4-Diaminobutane, N-tert-butyl-, dihydrochloride1,4-BUTANEDIAMINE, N-tert-BUTYL-, DIHYDROCHLORIDEUNII-DAB9RW5FZD
Database identifiers
- CAS
1867-72-7- PubChem CID
- 15852
Properties
Computed structural properties
- Topological polar surface area
- 44.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 73.8
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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