p-Methylphenethylamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
3261-62-9- Standard SMILES
Cc1ccc(CCN)cc1- InChIKey
VKJXAQYPOTYDLO-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Names & identifiers
- Preferred name
- p-Methylphenethylamine
- IUPAC
- 2-(4-methylphenyl)ethanamine
- English name
- 4-Methylphenethylamine
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
p-MethylphenethylamineEINECS 221-865-2DTXSID70186305NSC 30278RefChem:858129DTXCID40108796221-865-24-Methylphenethylamine3261-62-92-(p-Tolyl)ethanamine2-(p-Tolyl)ethylamine2-(4-Methylphenyl)ethanamine
Show more names
RARECHEM AL BW 00594-Methylphethylamine4-METHYLPHENETHYLAMINMirabegron Impurity 924-methylbenzenethylamine
2-(4-Methylphenyl)Ethan-1-AmineBenzeneethanamine, 4-methyl-2-p-Tolyl-ethylamine2-(4-methylphenyl)ethylamineMFCD000081952APY7DEB6ECHEMBL103299NSC-30278
Database identifiers
- CAS
3261-62-9- PubChem CID
- 76751
- DTXSID
DTXSID70186305- ChEMBL
CHEMBL103299- UNII
- 2APY7DEB6E
- EC Number
- 221-865-2
- Nikkaji
- J236.206F
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 82.7
Experimental & physicochemical properties
PesticidesFungicides
Physicochemical properties
- Melting point
- 116 °C · 116°C (estimate)
- Boiling point
- 214 °C · 214 °C(lit.)
- Density
- 0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.527(lit.)
- Flash point
- 195 °F · 195 °F
- solubility
- Chloroform, Methanol (Slightly)
- form
- Liquid
- pka
- 10.02 · 10.02±0.10(Predicted)
- color
- Clear colorless to light yellow
- Specific Gravity
- 0.93 · 0.930
- InChI
- InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3
- InChIKey
- VKJXAQYPOTYDLO-UHFFFAOYSA-N
- SMILES
- C1(CCN)=CC=C(C)C=C1
- CAS DataBase Reference
- 3261 · 3261-62-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 APY7DEB6E · 2APY7DEB6E
- NIST Chemistry Reference
- 2 · 2-(p-Tolyl)ethylamine(3261-62-9)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,C
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39-37/39
- RIDADR
- 2922 · UN 2922 8/6.1/PG II
- WGK Germany
- 3 · 3
- RTECS
- 306700 · DA0306700
- HazardClass
- CORROSIVE
- PackingGroup
- II
- HS Code
- 29215900 · 29215900
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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 (93.3%): 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 45 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (93.3%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- DA0306700
- ridadr
- UN 2922 8/6.1/PG II
- hs_code
- 29215900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,C
- safety_code
- 26-36/37/39-37/39
- hazard_class
- CORROSIVE
- Storage Class
- 10 - Combustible liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFungicides
Applications
Uses2-(p-Tolyl)ethylamine was used to prepare secondary amides by amidation of sophorolipid ethyl ester.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
62 records
Compound notes
Loading…