Basic information
- CAS
493-78-7- Standard SMILES
CN(C)CCN(Cc1cccs1)c1ccccc1- InChIKey
LDYJXVUOVPVZKA-UHFFFAOYSA-N- Molecular formula
- C15H20N2S
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.13471982
Overview
Methaphenilene is a member of benzenes.
Names & identifiers
- Preferred name
- Methaphenilene
- IUPAC
- N,N-dimethyl-N'-phenyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
- English name
- methaphenilene
- Molecular formula
- C15H20N2S
- Molecular weight
- 260.403
Names & synonyms
Methaphenilene493-78-7MetafenilenoMetafenileneMethaphenilenum1,2-Ethanediamine, N,N-dimethyl-N'-phenyl-N'-(2-thienylmethyl)-Q1MP2MRW1EETHYLENEDIAMINE, N,N-DIMETHYL-N'-PHENYL-N'-2-THENYL-DTXSID5020817N,N-dimethyl-N'-phenyl-N'-(2-thienylmethyl)ethane-1,2-diamineRefChem:925572DTXCID10817
Show more names
W50 BaseW-50 Base
N1,N1-Dimethyl-N2-phenyl-N2-(2-thienylmethyl)-1,2-ethanediamine207-780-3DiatrinDiatrin BaseW 50 BaseMetafenilene [DCIT]Methaphenilene [INN:BAN]R.P. 2740
Database identifiers
- CAS
493-78-7- PubChem CID
- 10306
- DTXSID
DTXSID5020817- ChEMBL
CHEMBL2111026- ChEBI
CHEBI:6819- UNII
- Q1MP2MRW1E
- EC Number
- 207-780-3
- Nikkaji
- J6.072K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 34.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 7 · bp7 183-185°
- refractive index
- 25 · nD25 1.5902
- FDA UNII
- 1 MP2MRW1E · Q1MP2MRW1E
- Toxicity
- 50 intraperitoneal · LD50 intraperitoneal in mouse: 117mg/kg
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, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Toxicity
- LD50 intraperitoneal in mouse: 117mg/kg
Chemistry & industry
Suppliers4 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Methaphenilene is a member of benzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…