1-(4-methoxyphenyl)-N-methylmethanamine (HCID 485407)

Names & identifiers

Preferred name: 1-(4-methoxyphenyl)-N-methylmethanamine
IUPAC: 1-(4-methoxyphenyl)-N-methylmethanamine
English name: N-(4-Methoxybenzyl)-N-methylamine
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

N-Methyl-4-methoxybenzylamine1-(4-methoxyphenyl)-N-methylmethanamineRefChem:425778662-855-1702-24-94-Methoxy-N-methylbenzylamineN-(4-Methoxybenzyl)-N-methylamineBenzenemethanamine, 4-methoxy-N-methyl-MFCD04115407[(4-methoxyphenyl)methyl](methyl)amine1-(4-methoxyphenyl)-N-methyl-methanamine4-methoxy-N-methylbenzenemethanamine

Show more names

)-N-MethyLAKOS BC-0897JACS-702-24-9N-(4-Methoxybenzyl)-4-(Methoxybenzyl)-N-methylamine

2-Naphthyl phosphate calcium salt hydrate(4-Methoxy-benzyl)-methyl-amineN-Methyl-p-methoxybenzylamine(4-methoxyphenyl)-N-methylmethanamineSCHEMBL9831methyl-4-methoxybenzyl amine4-methoxy-N-methylbenzyl amineN-(4-Methoxybenzyl)methylamine

Database identifiers

CAS: 702-24-9
PubChem CID: 485407
DTXSID: DTXSID80220466
ChEMBL: CHEMBL1178119
EC Number: 662-855-1
Nikkaji: J971.867B

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 97.7

Physicochemical properties

Melting point: 238 °C · 238 °C
Boiling point: 88 °C · 88 °C
Density: 1.008 g/mL · 1.008 g/mL at 25 °C
refractive index: 20 · n20/D1.529
Flash point: 109 ℃ · 109℃
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
pka: 10.14 · 10.14±0.10(Predicted)
color: Clear Beige
InChI: InChI=1S/C9H13NO/c1-10-7-8-3-5-9(11-2)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey: AIJFPNKGGAPZFJ-UHFFFAOYSA-N
SMILES: C1(CNC)=CC=C(OC)C=C1
CAS DataBase Reference: 702 · 702-24-9(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Warning
Hazard statements: 314 · H314-H318-H302
Precautionary statements: 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Hazard Codes: C,Xn
Risk Statements: 36 · 36/37/38-34-22
Safety Statements: 26 · 26-36/37/39
RIDADR: 2735 · UN 2735 8/PG III
WGK Germany: 1 · 1
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2921490090 · 2921490090
REACH Registrations: Inactive
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (93.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 7 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 04-10-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/18136

Hazard Classes and CategoriesAcute Tox. 4 (93.2%)

Safety data

wgk: 1
ridadr: UN 2735 8/PG III
hs_code: 2921490090
risk_code: 36/37/38-34-22
Signal word: Warning
Symbol(GHS): GHS07,GHS05
hazard_code: C,Xn
safety_code: 26-36/37/39
hazard_class: 8
packing_group: III
Hazard statements: H314-H318-H302
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
REACH Registrations: Inactive
Precautionary statements: P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

UsesN-(4-Methoxybenzyl)-N-methylamine is used in the synthetic preparation of many types of compounds, including the synthesis of trifluoromethyl-sulfonimidamides from sulfinamides as well as the preparation of piperazinylquinazoline amine compounds as toll-like receptor 9 signaling antagonists for treatment of immune disorders.