4-(2-Methoxyethyl)aniline

HCID 3020135

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Basic information

CAS: 84803-56-5
Standard SMILES: COCCc1ccc(N)cc1
InChIKey: LGBFKALRQPQBJJ-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Names & identifiers

Preferred name: 4-(2-Methoxyethyl)aniline
IUPAC: 4-(2-methoxyethyl)aniline
English name: 4-(2-methoxyethyl)aniline
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

4-(2-Methoxyethyl)aniline84803-56-5EINECS 284-182-9DTXSID90233845RefChem:512585DTXCID20156336284-182-94-(2-methoxy-ethyl)-phenylamine4-(2-Methoxyethyl)benzenamine; p-2-Methoxyethyl-Aniline; 1-Methoxy-2-(4-aminophenyl)ethane; 4-(2-Methoxyethyl)phenylamine; p-(2-Methoxyethyl)aniline;4-methoxyethylanilineSCHEMBL5659Metoprolol Process Impurity 4

Show more names

Metoprolol Impurity 194-(2-Methoxyethyl)benzenamineBenzenamine, 4-(2-methoxyethyl)-

[4-(2-methoxy ethyl)phenyl]amineJDA80356MFCD09740464AKOS000145900SB76179CS-0251153NS00038660EN300-53778

Database identifiers

CAS: 84803-56-5
PubChem CID: 3020135
DTXSID: DTXSID90233845
EC Number: 284-182-9
Nikkaji: J309.455C

Properties

Computed structural properties

XLogP: 0.6
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: 97

Physicochemical properties

Boiling point: 111 · 111-114 °C(Press: 8 Torr)
Density: 1.025 · 1.025±0.06 g/cm3(Predicted)
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
solubility: Chloroform (Slightly), DMSO (Slightly)
form: Oil
pka: 4.77 · 4.77±0.10(Predicted)
color: Pale Red to Light Red
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 332 · H332-H335-H302-H312-H318-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P305+P351+P338-P310-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H332-H335-H302-H312-H318-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P305+P351+P338-P310-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362