Basic information
- CAS
22965-15-7- Standard SMILES
COC(=O)c1cccc2c1N(C)c1c(cccc1C(=O)OC)CC2- InChIKey
JBPZKMXNIRDZDB-UHFFFAOYSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Names & identifiers
- Preferred name
- 5-ME-10,11-Dihydro-5H-dibenzo(B,F)azepine-4,6-dicarboxylic acid dimethyl ester
- IUPAC
- dimethyl 11-methyl-5,6-dihydrobenzo[b][1]benzazepine-1,10-dicarboxylate
- English name
- 4,15-dimethyl 2-methyl-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-4,15-dicarboxylate
- Molecular formula
- C19H19NO4
- Molecular weight
- 325.36
Names & synonyms
5-ME-10,11-DIHYDRO-5H-DIBENZO(B,F)AZEPINE-4,6-DICARBOXYLIC ACID DIMETHYL ESTERRefChem:536502683-785-822965-15-7NSC319669dimethyl 11-methyl-5,6-dihydrobenzo[b][1]benzazepine-1,10-dicarboxylateDTXSID90317654AKOS024331565NSC-319669Dimethyl 5-methyl-10,11-dihydro-5H-dibenzo[b,f]azepine-4,6-dicarboxylate5H-Dibenz[b,f]azepine-4,6-dicarboxylic acid, 10,11-dihydro-5-methyl-, 4,6-dimethyl ester4,15-dimethyl 2-methyl-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaene-4,15-dicarboxylate
Database identifiers
- CAS
22965-15-7- PubChem CID
- 330591
- DTXSID
DTXSID90317654- EC Number
- 683-785-8
- Nikkaji
- J2.459.416E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Boiling point
- 490.1 · 490.1±45.0 °C(Predicted)
- Density
- 1.202 · 1.202±0.06 g/cm3(Predicted)
- pka
- -0.63 · -0.63±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H400-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H315-H400-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P273-P391-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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