Basic information
- CAS
13977-33-8- Standard SMILES
CN(CCc1ccccc1)CCc1ccccc1- InChIKey
XVWQQNARVMHZBP-UHFFFAOYSA-N- Molecular formula
- C17H21N
- Average molar mass
- 239.35 g/mol
- Monoisotopic mass
- 239.16739967
Overview
Demelverine is a small molecule drug. The usage of the INN stem '-verine' in the name indicates that Demelverine is a spasmolytic with a papaverine-like action. Demelverine has a monoisotopic molecular weight of 239.17 Da.
Names & identifiers
- Preferred name
- Demelverine
- IUPAC
- N-methyl-2-phenyl-N-(2-phenylethyl)ethanamine
- English name
- N,N-Bis(2-phenyl-ethyl)-N-methyl-amine
- Molecular formula
- C17H21N
- Molecular weight
- 239.36
Names & synonyms
Demelverine13977-33-8N-MethyldiphenethylamineDemelverinaDemelverinumDemelverinMethphenethamineMX0B07OP8MN-Methyl-N,N-diphenethylamineN-Methyl-beta,beta-diphenyldiethylamineDTXSID40161164RefChem:585708
Show more names
N,N-Bis(2-phenyl-ethyl)-N-methyl-amineN-Methyl-N-(2-phenylethyl)benzeneethanamine
DTXCID7083655630-792-9N-methyl-N-phenethyl-2-phenylethanamineN-Methyl-2-phenyl-N-(2-phenylethyl)ethanamineBenzeneethanamine, N-methyl-N-(2-phenylethyl)-Demelverine [INN]Diphenethylamine, N-methyl-MFCD00134259
Database identifiers
- CAS
13977-33-8- PubChem CID
- 65608
- DTXSID
DTXSID40161164- ChEMBL
CHEMBL2104216- UNII
- MX0B07OP8M
- EC Number
- 630-792-9
- Nikkaji
- J8.468I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 204 °C · 204 °C(Press: 25 Torr)
- Density
- 0.998 · 0.998±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 9.75 · 9.75±0.50(Predicted)
- FDA UNII
- 0 B07OP8M · MX0B07OP8M
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers19 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 13395169561 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海珂华生物科技有限公司021-58581007 18019463053 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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