4-Methylbenzylamine (HCID 66035)

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 properties

XLogP: 1.3
Topological polar surface area: 26 Å²
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: 104 · 104-84-7(CAS DataBase Reference)
NIST Chemistry Reference: 4 · Benzenemethanamine, 4-methyl-(104-84-7)
EPA Substance Registry System: 4 · Benzenemethanamine, 4-methyl- (104-84-7)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214980 · 29214980
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 B · Skin Corr. 1B
Limited Quantities: 1 L · 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)

Safety & regulation

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 · 2 items

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.