Basic information
- CAS
88192-22-7- Standard SMILES
C#C[C@H](N)CC[C@@H](C)N- InChIKey
QIADQCOYEFCREQ-RQJHMYQMSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569846
Names & identifiers
- Preferred name
- Mdl-72175
- IUPAC
- (2R,5R)-hept-6-yne-2,5-diamine
Names & synonyms
6-Heptyne-2,5-diamine, (2R,5R)-MDL-721752KJV7DY3J4Mdl 72175RefChem:925404Methyl acetylenic putrescine88192-22-7(2R,5R)-hept-6-yne-2,5-diamine(2r,5r)-6-heptyne-2,5-diamineSCHEMBL869002AKOS006338585
Database identifiers
- CAS
88192-22-7- PubChem CID
- 65019
- UNII
- 2KJV7DY3J4
- Nikkaji
- J323.021J
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 111
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Substances 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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