N-benzyl-N-methyl-1-phenylmethanamine
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Basic information
- CAS
102-05-6- Standard SMILES
CN(Cc1ccccc1)Cc1ccccc1- InChIKey
WYZDCUGWXKHESN-UHFFFAOYSA-N- Molecular formula
- C15H17N
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.13609954
Overview
Dibemethine is a small molecule drug. Dibemethine has a monoisotopic molecular weight of 211.14 Da.
Names & identifiers
- Preferred name
- N-benzyl-N-methyl-1-phenylmethanamine
- IUPAC
- N-benzyl-N-methyl-1-phenylmethanamine
- English name
- Dibemethine
- Molecular formula
- C15H17N
- Molecular weight
- 211.3
Names & synonyms
N-benzyl-N-methyl-1-phenylmethanamineRefChem:586363Dibemethine102-05-6DibenzylmethylamineN-MethyldibenzylamineN,N-DibenzylmethylamineDibemethinMethyl dibenzylamineBenzenemethanamine, N-methyl-N-(phenylmethyl)-MethyldibenzylamineDibemetina
Show more names
DIN,N-Dibenzyl-N-methylamineL-566AI3-26795Dibemethinum
RevoxylDBMAL 566N-Methyl-N,N-dibenzylamineMFCD00022018DTXSID4046238Dibenzylamine, N-methyl-Dibemethinum [INN-Latin]
Database identifiers
- CAS
102-05-6- PubChem CID
- 21583
- DTXSID
DTXSID4046238- ChEMBL
CHEMBL2106280- UNII
- 67VKG5DY8W
- EC Number
- 203-001-6
- Nikkaji
- J5.002D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 50 °C · 50 °C
- Boiling point
- 304 · 304-305 °C(Press: 765.5 Torr)
- Density
- 0.996 g/cm3 · 0.996 g/cm3(Temp: 22 °C)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 7.85 · 7.85±0.50(Predicted)
- FDA UNII
- 67 VKG5DY8W · 67VKG5DY8W
- EPA Substance Registry System
- Benzenemethanamine, N-methyl-N-(phenylmethyl)- (102-05-6)
- Symbol(GHS)
- 8 · GHS08,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 334 · H334-H301-H335-H400-H315-H319
- Precautionary statements
- 273 · P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501-P264-P270-P301+P310-P321-P330-P405-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
Danger
H301 (60%): Toxic if swallowed [Danger Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 65 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzenemethanamine, N-methyl-N-(phenylmethyl)-
Hazard Classes and CategoriesAcute Tox. 3 (60%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS09,GHS06
- Hazard statements
- H334-H301-H335-H400-H315-H319
- Precautionary statements
- P273-P391-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P261-P285-P304+P341-P342+P311-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenemethanamine, N-methyl-N-(phenylmethyl)-: ACTIVE
Applications
UsesDibemethine is active against chloroquinone-resistant Plasmodium falciparum and inhibit chloroquine transport via the P. falciparum chloroquine-resistance transporter (PfCRT).
Suppliers
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Related reactions
3 records
Compound notes
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