Basic information
- CAS
5405-15-2- Standard SMILES
Cc1ccc(NCc2ccccc2)cc1- InChIKey
KEVOWRWHMCBERP-UHFFFAOYSA-N- Molecular formula
- C14H15N
- Average molar mass
- 197.27 g/mol
- Monoisotopic mass
- 197.12044948
Names & identifiers
- Preferred name
- N-benzyl-4-methylaniline
- IUPAC
- N-benzyl-4-methylaniline
- English name
- Benzyl-p-tolyl-amine
- Molecular formula
- C14H15N
- Molecular weight
- 197.28
Names & synonyms
N-benzyl-4-methylaniline5405-15-2N-Benzyl-4-toluidineX1UCI3S8J8N-(4-METHYLPHENYL)BENZENEMETHANAMINENSC-8084DTXSID10202376NB4MARefChem:162943DTXCID10124867226-455-7Benzyl-p-tolyl-amine
Show more names
N-p-Tolylbenzylamine4-methyl-N-(phenylmethyl)anilineN-(4-Methylphenyl)phenylmethanamine
N-Benzyl-p-toluidineN-Benzyl-N-(4-methylphenyl)amineMFCD00870620N-benzyl-4-methylbenzenamineBENZYL(4-METHYLPHENYL)AMINEN-(4-tolyl)benzylamineNSC 8084Benzenemethanamine, N-(4-methylphenyl)-
Database identifiers
- CAS
5405-15-2- PubChem CID
- 79403
- DTXSID
DTXSID10202376- ChEMBL
CHEMBL237424- UNII
- X1UCI3S8J8
- EC Number
- 226-455-7
- Nikkaji
- J217.966K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 164
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Physicochemical properties
- Melting point
- 19.5 °C · 19.5°C
- Boiling point
- 324.39 °C · 324.39°C (rough estimate)
- Density
- 1.0064 · 1.0064
- refractive index
- 1.5832 · 1.5832
- pka
- 4.37 · 4.37±0.20(Predicted)
- FDA UNII
- 1 UCI3S8J8 · X1UCI3S8J8
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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%)
Chemistry & industry
Suppliers20 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
北京伊万景瑞生物科技有限公司15866847540 · [email protected]
上海瀚思化工有限公司17717618050 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
26 records
Compound notes
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