p-Methylphenethylamine (HCID 76751)

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 properties

XLogP: 1.6
Topological polar surface area: 26 Å²
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

GHS classification

GHS Classification · 4 items

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.