N-Methyl-N-(2,3-butadienyl)-1,4-butanediamine
Basic information
- CAS
93565-00-5- Standard SMILES
C=C=CCNCCCCNC.Cl.Cl- InChIKey
BWTHDKAWHFNBMO-UHFFFAOYSA-N- Molecular formula
- C9H20Cl2N2
- Average molar mass
- 227.17 g/mol
- Monoisotopic mass
- 226.100354
Overview
RN given refers to di-HCl; RN for parent cpd not available 6/85
Names & identifiers
- Preferred name
- N-Methyl-N-(2,3-butadienyl)-1,4-butanediamine
- IUPAC
- N'-buta-2,3-dienyl-N-methylbutane-1,4-diamine;dihydrochloride
- English name
- N-methyl-N-(2,3-butadienyl)-1,4-butanediamine
- Molecular weight
- 0
Names & synonyms
93565-00-5Mdl 72.521MDL-72521N-Methyl-N-(2,3-butadienyl)-1,4-butanediamineN1-(2,3-Butadienyl)-N2-methylbutane-1,4-diamineRefChem:1637421,4-Butanediamine, N-2,3-butadienyl-N'-methyl-, dihydrochlorideMdl 72521
Database identifiers
- CAS
93565-00-5- PubChem CID
- 146441
Properties
Computed structural properties
- Topological polar surface area
- 24.1 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 115
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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