Basic information
- CAS
543-82-8- Standard SMILES
CC(C)CCCC(C)N- InChIKey
QNIVIMYXGGFTAK-UHFFFAOYSA-N- Molecular formula
- C8H19N
- Average molar mass
- 129.24 g/mol
- Monoisotopic mass
- 129.15174961
Overview
Octodrine is an alkylamine.
Names & identifiers
- Preferred name
- Octodrine
- IUPAC
- 6-methylheptan-2-amine
- English name
- 1,5-Dimethylhexylamine
- Molecular formula
- C8H19N
- Molecular weight
- 129.24
Names & synonyms
Octodrine2-Amino-6-methylheptane543-82-81,5-Dimethylhexylamine6-Methyl-2-heptylamineOctodrinaOctodrinumOttodrinaSK&F 51HEXYLAMINE, 1,5-DIMETHYL-SKF-51DTXSID8046535
Show more names
DMHAAmidrine1,5-dimethyl-hexylamin2-Methyl-6-aminoheptane2-AMINO-6-METHYLHEPTANE HCL2-AMino-6-Methyheptan hydrochloride11β
SK&F-51NSC-7598131,5-DMHA3GQ9E911BIDTXCID6026535RefChem:856055208-851-1227-796-4
Database identifiers
- CAS
543-82-8- PubChem CID
- 10982
- DTXSID
DTXSID8046535- ChEMBL
CHEMBL2105833- ChEBI
CHEBI:134758- UNII
- 3GQ9E911BI
- EC Number
- 208-851-1
- Nikkaji
- J6.405J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 59.6
Experimental & physicochemical properties
Collision Cross Section134.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 25 °C · 25°C
- Boiling point
- 154 · 154-156 °C(lit.)
- Density
- 0.767 g/mL · 0.767 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.422(lit.)
- Flash point
- 120 °F · 120 °F
- storage temp.
- Flammables area
- solubility
- DMSO (Slightly), Methanol (Slightly)
- pka
- 10.28 · pKa 10.28 ± 0.1(H2O,t =25±0.2,I<0.001) (Uncertain)
- form
- Liquid
- color
- White to Off-White
- Merck
- 14 · 14,6757
- BRN
- 1209250 · 1209250
- Stability
- Hygroscopic
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information6-Methyl-2-heptylamine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 10-34
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MQ4840000
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10-22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-37/39-16
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Heptanamine, 6-methyl-: ACTIVE
Applications
Uses1,5-Dimethylhexylamine is an aliphatic secondary amine which shows leucine aminotransferase inhibition. 1,5-Dimethylhexylamine is used in the preparation of glycosyl β-amino acids with antitubercular activity.
Uses2-Amino-6-methylheptane can be used as: A building block for the synthesis of n-type photoconductor, N,N′-bis(1,5-dimethylhexyl)-3,4:9,10-perylenebis (dicarbox-imide) (PDHEP).A reagent in the synthesis of substituted pyrrolidones by reductive amination of levulinic acid using supported platinum catalyst.A nucleophilic amine in the synthesis of unsymmetrical sulfamide by reacting with sulfamic acid salts and triphenylphosphine ditriflate.
Preparation methods
Preparation1,5-Dimethylhexylamine was synthesized from 6-methyl-2-heptanone ([928-68-7]) by amination and catalytic hydrogenation.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Related reactions
3 records
Compound notes
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