CAS 6298-96-0 1-(4-Methoxyphenyl)ethanamine (HCID 238181)

Names & identifiers

Preferred name: 1-(4-Methoxyphenyl)ethanamine
IUPAC: 1-(4-methoxyphenyl)ethanamine
English name: 1-(4-Methoxy-phenyl)-ethylamine
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

1-(4-methoxyphenyl)ethanaminealpha-Methyl-4-methoxybenzylamineNSC-424426GC7UU4LDV4-Methoxy-alpha-methylbenzenemethanaminealpha-Methyl-4-methoxybenzenemethanamineDTXSID20285599Benzylamine, p-methoxy-alpha-methyl-P-METHOXY-.ALPHA.-METHYLBENZYLAMINEbenzenemethanamine, 4-methoxy-alpha-methyl-EC 700-847-2NSC 42442

Show more names

1-(4-methoxyphenyl)ethan-1-amineNSC42442AKOS B006177AKOS BC-09841-ANISYLETHYLAMINETIMTEC-BB SBB007015ART-CHEM-BB B0061771-(4-Methoxypheny)ethylamine1-(P-METHOXYPHENYL)ETHYLAMINE

RefChem:425791DTXCID90236750P-METHOXY-ALPHA-METHYLBENZYLAMINE.ALPHA.-METHYL-4-METHOXYBENZYLAMINE(+-)-1-(4-METHOXYPHENYL)ETHYLAMINEBenzenemethanamine, 4-methoxy-.alpha.-methyl-(+-)-ALPHA-(P-METHOXYPHENYL)ETHYLAMINE(+-)-P-METHOXY-ALPHA-METHYLBENZYLAMINE

Database identifiers

CAS: 6298-96-0
PubChem CID: 238181
DTXSID: DTXSID20285599
UNII: 6GC7UU4LDV
EC Number: 700-847-2
Nikkaji: J450.682K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 108

Physicochemical properties

Boiling point: 129 · 129-132 °C(Press: 25 Torr)
Density: 1.0308 g/cm3 · 1.0308 g/cm3
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka: 9.29 · 9.29±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3
InChIKey: JTDGKQNNPKXKII-UHFFFAOYSA-N
SMILES: C1(C(N)C)C=CC(OC)=CC=1
CAS DataBase Reference: 6298 · 6298-96-0(CAS DataBase Reference)
FDA UNII: 6 GC7UU4LDV · 6GC7UU4LDV
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Hazard Codes: Xi,C
Risk Statements: 22 · 22-34
Safety Statements: 26 · 26-36/37/39-45
HazardClass: IRRITANT
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (72.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (73.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H412 (72.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P260, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Regulatory InformationStatus: Active Update: 22-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10034

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1B (100%)；Skin Sens. 1A (72.6%)；Eye Dam. 1 (73.3%)；Aquatic Chronic 3 (72.6%)

Regulatory information

Regulatory InformationStatus: Active Update: 22-10-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/10034

Safety data

risk_code: 22-34
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Hazard statements: H315-H319
REACH Registrations: Inactive
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313