2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
Basic information
- CAS
2525-16-8- Standard SMILES
COC1=NCCCCC1- InChIKey
DNXIQMQGKSQHPC-UHFFFAOYSA-N- Molecular formula
- C7H13NO
- Average molar mass
- 127.18 g/mol
- Monoisotopic mass
- 127.09971404
Names & identifiers
- Preferred name
- 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
- IUPAC
- 7-methoxy-3,4,5,6-tetrahydro-2H-azepine
- English name
- 7-Methoxy-3,4,5,6-tetrahydro-2H-azepine
- Molecular formula
- C7H13NO
- Molecular weight
- 127.18
Names & synonyms
7-Methoxy-3,4,5,6-tetrahydro-2H-azepine2525-16-8Caprolactim methyl ether2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-1-Aza-2-methoxy-1-cycloheptene2-Methoxy-1-azacyclohepteneO-MethylhexanolactimCaprolactim-O-methyl ether3,4,5,6-Tetrahydro-7-methoxy-2H-azepineFD6DMX4LATepsilon-Caprolactim etherNSC 31263
Show more names
AKOS BBS-00007015O-METHYLCAPROLACTIMO-METHYLCAPROLACTAMO-Methylcaprolactime
NSC 523095EINECS 219-762-2NSC-31263NSC-523095Methyl 3,4,5,6-tetrahydro-7H-azepin-2-yl etherDTXSID3062491RefChem:484246DTXCID3037250
Database identifiers
- CAS
2525-16-8- PubChem CID
- 75657
- DTXSID
DTXSID3062491- UNII
- FD6DMX4LAT
- EC Number
- 219-762-2
- Nikkaji
- J192.011A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Physicochemical properties
- Boiling point
- 52 · 52-53 °C18 mm Hg(lit.)
- Density
- 0.887 g/mL · 0.887 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.463(lit.)
- Flash point
- 124 °F · 124 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 5.94 · 5.94±0.20(Predicted)
- color
- Colorless to Light yellow
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C7H13NO/c1-9-7-5-3-2-4-6-8-7/h2-6H2,1H3
- InChIKey
- DNXIQMQGKSQHPC-UHFFFAOYSA-N
- SMILES
- COC1=NCCCCC1
- LogP
- 1.412 · 1.412 (est)
- FDA UNII
- 6 DMX4LAT · FD6DMX4LAT
- EPA Substance Registry System
- 2 H-Azepine, · 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy- (2525-16-8)
- UNSPSC Code
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
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 156 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-
Status: Active Update: 21-11-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/21651
Other Safety InformationIMAP assessments - 2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-: Environment tier I assessment
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339900
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 16
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Azepine, 3,4,5,6-tetrahydro-7-methoxy-: ACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
37 records
Compound notes
Loading…