5,6-Heptadiene-1,4-diamine
Basic information
- CAS
93065-08-8- Standard SMILES
C=C=CC(N)CCCN- InChIKey
IVKPIPYMJKZNMP-UHFFFAOYSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569846
Names & identifiers
- Preferred name
- 5,6-Heptadiene-1,4-diamine
- IUPAC
- hepta-5,6-diene-1,4-diamine
- English name
- 5,6-heptadiene-1,4-diamine
- Molecular weight
- 0
Names & synonyms
5,6-Heptadiene-1,4-diaminealpha-Allenylputrescine93065-08-8RefChem:101227hepta-5,6-diene-1,4-diamineDTXSID50918747AKOS0063629635,6-Heptadiene-1,4-diamine, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, (R)-
Database identifiers
- CAS
93065-08-8- PubChem CID
- 124506
- DTXSID
DTXSID50918747
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances and drugs that inhibit or block the activity of ORNITHINE DECARBOXYLASE.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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