Octamylamine
Basic information
- CAS
502-59-0- Standard SMILES
CC(C)CCCC(C)NCCC(C)C- InChIKey
RRWTWWBIHKIYTH-UHFFFAOYSA-N- Molecular formula
- C13H29N
- Average molar mass
- 199.38 g/mol
- Monoisotopic mass
- 199.22999993
Overview
Octamylamine is a secondary amino compound.
Names & identifiers
- Preferred name
- Octamylamine
- IUPAC
- 6-methyl-N-(3-methylbutyl)heptan-2-amine
- English name
- octamylamine
- Molecular formula
- C40H88N
- Molecular weight
- 583.13342
Names & synonyms
Octamylamine502-59-0OctisamylOctometineOctin DNeo-octonOctinum DOctamilaminaLudoctalOktin D2-Isoamylamino-6-methylheptaneOctamylaminum
Show more names
Oxtamylamineoctamylamine USP/EP/BP1,5-dimethylhexyl(isoamyl)amine
Octamylamine [INN:DCF]Octamylaminum [INN-Latin]Octamilamina [INN-Spanish]DTXSID0057756N-Isopentyl-1,5-dimethylhexylamineEINECS 207-947-0BRN 1739790UNII-S0737084O9
Database identifiers
- CAS
502-59-0- PubChem CID
- 10406
- DTXSID
DTXSID0057756- ChEMBL
CHEMBL2105132- ChEBI
CHEBI:134861- UNII
- S0737084O9
- EC Number
- 207-947-0
- Nikkaji
- J6.204I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 18 °C · 18°C (estimate)
- Boiling point
- 7 · bp7 100-101°
- Density
- 0.8031 · 0.8031 (estimate)
- refractive index
- 1.4329 · 1.4329 (estimate)
- pka
- 10.95 · 10.95±0.29(Predicted)
- FDA UNII
- 737084 O9 · S0737084O9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 intravenous · LD50 intravenous in mouse: 16500ug/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in mouse: 16500ug/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesOctamylamine is an anticholinergic and antispasmodic agent[1].
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Octamylamine is a secondary amino compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…