N-(Tetrahydrofurfuryl)-N-methylamine
Basic information
- CAS
2439-57-8- Standard SMILES
CNCC1CCCO1- InChIKey
VJUDVVHGQMPPEI-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- N-(Tetrahydrofurfuryl)-N-methylamine
- IUPAC
- N-methyl-1-(oxolan-2-yl)methanamine
- English name
- N-Methyltetrahydrofurfurylamine
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
2439-57-8EINECS 219-464-2N-(Tetrahydrofurfuryl)-N-methylamineDTXSID001281770NSC 76040Tetrahydro-N-methyl-2-furanmethanamineRefChem:828713DTXCID001712214219-464-2methyl(oxolan-2-ylmethyl)amineN-Methyl-1-(Tetrahydrofuran-2-Yl)MethanamineN-METHYLTETRAHYDROFURFURYLAMINE
Show more names
CHEMBRDG-BB 4018249methyl(tetrahydrofurfuryl)amineN-Methyltetrahydrofuran-2-methanamine2-Furanmethanamine, tetrahydro-N-methyl-Methyl-(tetrahydro-furan-2-ylmethyl)-amineN-methyl-N-(tetrahydro-2-furanylmethyl)amine.hcl
methyl[(oxolan-2-yl)methyl]amineN-methyl-1-(oxolan-2-yl)methanamineMFCD00022474Methyl-tetrahydrofurfuryl-aminNSC760402-Furanmethanamine,tetrahydro-N-methyl-SCHEMBL63653SCHEMBL1190964
Database identifiers
- CAS
2439-57-8- PubChem CID
- 98090
- DTXSID
DTXSID001281770- EC Number
- 219-464-2
- Nikkaji
- J62.796H
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 65.5
Physicochemical properties
- Boiling point
- 155 · 155-156 °C
- Density
- 0.928 g/cm3 · 0.928 g/cm3(Temp: 21.5 °C)
- pka
- 9.69 · 9.69±0.10(Predicted)
- InChI
- InChI=1S/C6H13NO/c1-7-5-6-3-2-4-8-6/h6-7H,2-5H2,1H3
- InChIKey
- VJUDVVHGQMPPEI-UHFFFAOYSA-N
- SMILES
- O1CCCC1CNC
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-41
- Safety Statements
- 26 · 26-39
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 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
Safety data
- risk_code
- 22-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xn
- safety_code
- 26-39
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Related reactions
5 records
Compound notes
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