CAS 2045-79-6 2-Methoxyphenethylamine (HCID 74896)

Names & identifiers

Preferred name: 2-Methoxyphenethylamine
IUPAC: 2-(2-methoxyphenyl)ethanamine
English name: 2-Methoxyphenethylamine
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

2-Methoxyphenethylamine2-(2-Methoxyphenyl)ethylamineBenzeneethanamine, 2-methoxy-o-methoxyphenethylamineA87YWS9XM32-methoxyphenylethylamine2-METHOXYBENZENEETHANAMINEPHENETHYLAMINE, O-METHOXY-RefChem:4746652-(2-Methoxyphenyl)ethanamine2-(2-Methoxyphenyl)Ethan-1-Amine2-(2-Methoxy-phenyl)-ethylamine

Show more names

RARECHEM AL BW 00512-MethoxyphethylamineMethoxyphenethylaMineso-(2-Aminoethyl)anisoleO-Methoxyphenylethylamine2-METHOXY PHENYL ETHYLAMINE

MFCD00008186CHEMBL100635ortho-methoxyphenethylamine2-(2-Aminoethyl)anisoleUNII-A87YWS9XM3(2-methoxybenzyl)methylamine2-(Methoxy)benzeneethanamineO-Methoxy-2-phenylethylamine

Database identifiers

CAS: 2045-79-6
PubChem CID: 74896
DTXSID: DTXSID00174412
ChEMBL: CHEMBL100635
UNII: A87YWS9XM3
Nikkaji: J150.016C

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Physicochemical properties

Melting point: 12 · 12-15°C
Boiling point: 236 · 236-237 °C (lit.)
Density: 1.033 g/mL · 1.033 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.541
Flash point: 230 °F · >230 °F
form: Liquid
pka: 9.96 · 9.96±0.10(Predicted)
color: Clear yellow to slightly brown
InChI: 1S/C9H13NO/c1-11-9-5-3-2-4-8(9)6-7-10/h2-5H,6-7,10H2,1H3
InChIKey: WSWPCNMLEVZGSM-UHFFFAOYSA-N
SMILES: COc1ccccc1CCN
CAS DataBase Reference: 2045 · 2045-79-6(CAS DataBase Reference)
FDA UNII: 87 YWS9XM3 · A87YWS9XM3
NIST Chemistry Reference: 2 · 2-(2-Methoxyphenyl)ethylamine(2045-79-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338-P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 23 · 23-26-27-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 2
WGK Germany: 3 · 3
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29221985 · 29221985
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin 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
ridadr: UN 2735 8/PG 2
hs_code: 29221985
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 23-26-27-36/37/39-45
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: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P260-P264-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P280-P305+P351+P338-P310

Chemistry & industry

Applications · 2 items

Uses2-Methoxyphenethylamine can be used as HIV inhibitors and related viruses.

General Description2-Methoxyphenethylamine (MPEA) is also referred to as o-methoxyphenethylamine. The distribution behavior of tyramine and MPEA in the [bmim][PF6]/water system (bmim = 1-butyl-3-methylimidazolium hexafluorophosphate) has been evaluated under different conditions.