N,6-Dimethyl-2-heptanamine
Basic information
- CAS
503-00-4- Standard SMILES
CNC(C)CCCC(C)C- InChIKey
KYMRGVJAIFPUPQ-UHFFFAOYSA-N- Molecular formula
- C9H21N
- Average molar mass
- 143.27 g/mol
- Monoisotopic mass
- 143.16739967
Names & identifiers
- Preferred name
- N,6-Dimethyl-2-heptanamine
- IUPAC
- N,6-dimethylheptan-2-amine
- English name
- N,1,5-trimethylhexylamine
- Molecular formula
- C9H21N
- Molecular weight
- 143.27
Names & synonyms
503-00-4N,6-Dimethyl-2-heptanamineDTXSID501311865RefChem:1090203DTXCID801461532n,6-dimethylheptan-2-amineN,1,5-TrimethylhexylamineMETHYL(6-METHYLHEPTAN-2-YL)AMINEHydro-octinum2-Methylamino-6-methylheptene2-Heptanamine, N,6-dimethyl-EINECS 207-958-0
Show more names
Isometheptene Impurity 1N,1,5-Trimethylhexylamin(N,6-dimethylheptan-2-amine)?Isometheptene
NSC 27123HEXYLAMINE, N,1,5-TRIMETHYL-BRN 1733512Isometheptene BP Impurity ANSC271232-Methylamino-6-methylheptan1,5-Dimethylhexyl(methyl)amineSCHEMBL14450809
Database identifiers
- CAS
503-00-4- PubChem CID
- 10415
- DTXSID
DTXSID501311865- EC Number
- 207-958-0
- Nikkaji
- J182.253E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 69.1
Physicochemical properties
- Boiling point
- 62 · 62-63 °C(Press: 10 Torr)
- Density
- 0.767 · 0.767±0.06 g/cm3(Predicted)
- pka
- 10.81 · 10.81±0.10(Predicted)
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Compound notes
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