Basic information
- CAS
4318-37-0- Standard SMILES
CN1CCCNCC1- InChIKey
FXHRAKUEZPSMLJ-UHFFFAOYSA-N- Molecular formula
- C6H14N2
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.11569845
Names & identifiers
- Preferred name
- 1-Methylhomopiperazine
- IUPAC
- 1-methyl-1,4-diazepane
- English name
- N-Methylhomopiperazine
- Molecular formula
- C6H14N2
- Molecular weight
- 114.19
Names & synonyms
1-MethylhomopiperazineRefChem:434623629-362-3N-Methylhomopiperazine1-Methyl-1,4-diazepane4318-37-0N-methyl homopiperazine1H-1,4-Diazepine, hexahydro-1-methyl-MFCD00059810Hexahydro-1-methyl-1H-1,4-diazepinemethylhomopiperazineN-methyl-1,4-diazacycloheptane
Show more names
MHPRZN-MethylhoMopiperazi-MethylhoMopiperazineN-Methylhomopiperazin1-Methyl-[1,4]diazepanPiperazine Impurity 36N-METHY1 Homo-Piperazines
N-methylhomopiperizine4-methyl-[1,4]-diazepane1-Methylhomopiperazine, 97%1-methylperhydro-1,4-diazepineF0001-1191Z1044792541-methyl-1,4-diazaperhydroepineNSC21211
Database identifiers
- CAS
4318-37-0- PubChem CID
- 228349
- DTXSID
DTXSID80281294- EC Number
- 629-362-3
- Nikkaji
- J61.599D
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 63.5
Experimental & physicochemical properties
LogP-0.4
Physicochemical properties
- Boiling point
- 74 · 74-75 °C/35 mmHg (lit.)
- Density
- 0.918 g/mL · 0.918 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.477(lit.)
- Flash point
- 113 °F · 113 °F
- storage temp.
- -20 °C · -20°C
- form
- liquid
- pka
- 10.82 · 10.82±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- InChI=1S/C6H14N2/c1-8-5-2-3-7-4-6-8/h7H,2-6H2,1H3
- InChIKey
- FXHRAKUEZPSMLJ-UHFFFAOYSA-N
- SMILES
- N1(C)CCCNCC1
- CAS DataBase Reference
- 4318 · 4318-37-0(CAS DataBase Reference)
- NIST Chemistry Reference
- N-methyl homopiperazine(4318-37-0)
Safety & regulation
GHS classification
GHS Classification
Danger
H226 (97.7%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (97.7%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2920 8/PG 2
- hs_code
- 29339900
- risk_code
- 10-22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS05,GHS07
- hazard_code
- C
- safety_code
- 16-26-27-36/37/39-45
- hazard_class
- 4.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H226-H302-H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Chemistry & industry
Applications
Uses1-Methylhomopiperazine was used in the synthesis of:novel benzimidazole derivatives having pharmacological activitiesplatinum(II) substituted disulfide complexes
General Description1-Methylhomopiperazine undergoes coupling reaction with a series of diazonium salts to afford the 4-methyl-1-[2-aryl-1-diazenyl]-1,4-diazepanes.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
302 records
Compound notes
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