CAS 20781-23-1 Bis(2,4-dimethoxybenzyl)amine (HCID 88696)

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Basic information

CAS: 20781-23-1
Standard SMILES: COc1ccc(CNCc2ccc(OC)cc2OC)c(OC)c1
InChIKey: IZWMZVDEYOKQCG-UHFFFAOYSA-N
Molecular formula: C18H23NO4
Average molar mass: 317.4 g/mol
Monoisotopic mass: 317.16270822

Names & identifiers

Preferred name: Bis(2,4-dimethoxybenzyl)amine
IUPAC: 1-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine
English name: Bis(2,4-dimethoxybenzyl)amine
Molecular formula: C18H23NO4
Molecular weight: 317.38

Names & synonyms

Bis(2,4-dimethoxybenzyl)amine20781-23-1Benzenemethanamine, N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-EINECS 244-037-2DTXSID00174871N-[(2,4-Dimethoxyphenyl)methyl]-2,4-dimethoxybenzenemethanamineBenzenemethanamine, N-((2,4-dimethoxyphenyl)methyl)-2,4-dimethoxy-N-((2,4-Dimethoxyphenyl)methyl)-2,4-dimethoxybenzenemethanamineRefChem:568614DTXCID6097362244-037-21-(2,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]methanamine

Show more names

Bis(2,4-dimethoxybenzyl)Bis(2,4-dimethoxybenyl)amineBis(2,4-dimenthoxybenzyl)amine2,2',4,4'TETRAMETHOXYDIBENZYLAMINEbis[(2,4-diMethoxyphenyl)Methyl]aMineBenzenemethanamine, N-(2,4-dimethoxyphenyl)methyl-2,4-dimethoxy-

MFCD00040480BDBM507219CS-D1722BP-21309FT-0650674KL52CY83PMSCHEMBL783785SCHEMBL2112849

Database identifiers

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 49 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 23
Formal charge: 0
Complexity: 298

Physicochemical properties

Boiling point: 443.5 · 443.5±40.0 °C(Predicted)
Density: 1.102 · 1.102±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
pka: 7.9 · 7.90±0.20(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C18H23NO4/c1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3
InChIKey: IZWMZVDEYOKQCG-UHFFFAOYSA-N
SMILES: C1(CNCC2=CC=C(OC)C=C2OC)=CC=C(OC)C=C1OC
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2922290090 · 2922290090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationBis(2,4-dimethoxybenzyl)amine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2922290090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362