4-Methylbenzylamine
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Basic information
- CAS
104-84-7- Standard SMILES
Cc1ccc(CN)cc1- InChIKey
HMTSWYPNXFHGEP-UHFFFAOYSA-N- Molecular formula
- C8H11N
- Average molar mass
- 121.18 g/mol
- Monoisotopic mass
- 121.08914936
Names & identifiers
- Preferred name
- 4-Methylbenzylamine
- IUPAC
- (4-methylphenyl)methanamine
- English name
- 4-Methylbenzylamine
- Molecular formula
- C8H11N
- Molecular weight
- 121.18
Names & synonyms
4-Methylbenzylamine104-84-7p-MethylbenzylamineBenzenemethanamine, 4-methyl-NSC-66562F9B6VRU8WPDTXSID2059306RefChem:99856DTXCID1032854203-243-2(4-Methylphenyl)methanaminep-tolylmethanamine
Show more names
NSC 665624-Xylylamineα-Amino-p-xyleneAKOS BBS-000036224-METHYBENZYLAMINEp-TolylmethylamineRARECHEM AL BW 0031
1-(4-methylphenyl)methanamineBenzylamine, p-methyl-4-MethylbenzenemethanamineMFCD000081234-methyl benzylamineCHEMBL273483benzylamine, 4-methyl-p-Xylylamine
Database identifiers
- CAS
104-84-7- PubChem CID
- 66035
- DTXSID
DTXSID2059306- ChEMBL
CHEMBL273483- UNII
- F9B6VRU8WP
- EC Number
- 203-243-2
- Nikkaji
- J134.732B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 72
Physicochemical properties
- Melting point
- 12 · 12-13 °C(lit.)
- Boiling point
- 195 °C · 195 °C(lit.)
- Density
- 0.952 g/mL · 0.952 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.534(lit.)
- Flash point
- 167 °F · 167 °F
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- form
- Liquid
- pka
- 9.21 · 9.21±0.10(Predicted)
- color
- Clear colorless to slightly yellow
- Water Solubility
- slightly soluble
- Sensitive
- Air Sensitive
- BRN
- 956670 · 956670
- InChI
- 1S/C8H11N/c1-7-2-4-8(6-9)5-3-7/h2-5H,6,9H2,1H3
- InChIKey
- HMTSWYPNXFHGEP-UHFFFAOYSA-N
- SMILES
- Cc1ccc(CN)cc1
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2735 8/PG 2
- hs_code
- 29214980
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Uses4-Methylbenzylamine is a methylated benzylamine used in the preparation of various bioactive compounds such as anticonvulsants. 4-Methylbenzylamine has been shown to stimulate food consumption and cou nteract the hypophagic effects of amphetamine acting on brain Shaker-like Kv1.1 channels.
UsesThe reactions of 1-hexanol with benzylamine and with 4-methylbenzylamine led to the corresponding imines in moderate yields. 4-methylbenzylamine in ethanol/water solution (1:4) as simultaneously absorbing and buffering background electrolyte with detection at 210 nm was found suitable for determination of the individual compounds in determination by capillary zone electrophoresis with indirect detection. Synthesis of benzimidazoles uses 4-methylbenzylamine (R 1 =4-MeBn) and 4-chlorophenyl isothiocyanate (R 2 =4-ClPh) as building blocks.
Upstream & downstream products
Downstream products
Related reactions
2,462 records
Compound notes
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