N-(4-Methoxybenzyl)aniline

HCID 408377

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Basic information

CAS: 3526-43-0
Standard SMILES: COc1ccc(CNc2ccccc2)cc1
InChIKey: WRDZMZGYHVUYRU-UHFFFAOYSA-N
Molecular formula: C14H15NO
Average molar mass: 213.27 g/mol
Monoisotopic mass: 213.1153641

Names & identifiers

Preferred name: N-(4-Methoxybenzyl)aniline
IUPAC: N-[(4-methoxyphenyl)methyl]aniline
English name: (4-Methoxy-benzyl)-phenyl-amine
Molecular formula: C14H15NO
Molecular weight: 213.27

Names & synonyms

N-(4-Methoxybenzyl)aniline3526-43-0N-Phenyl-4-methoxybenzylamine(4-Methoxy-benzyl)-phenyl-amine4-Methoxy-N-phenylbenzenemethanamineBenzylamine, p-methoxy-N-phenyl-N-(p-Methoxybenzyl)anilinep-Methoxy-N-phenylbenzylamineZ537UA4VGX4-Methoxybenzyl(phenyl)amineBenzenemethanamine, 4-methoxy-N-phenyl-N((-4-Methoxyphenyl)methyl)aniline

Show more names

OTAVA-BB 13715644-METHOXY-N-PHENYLBENZYLAMINEN-PHENYL-4-METHOXY BENZYLAMINEN-(4-methoxybenzyl)phenylamine4-METHOXY-N-PHENYL-BENZENEMETHANAMINE

RefChem:162173WRDZMZGYHVUYRU-UHFFFAOYSA-NN-[(4-methoxyphenyl)methyl]anilineMFCD00025831UNII-Z537UA4VGXOprea1_211513Oprea1_874991CL8688

Database identifiers

CAS: 3526-43-0
PubChem CID: 408377
DTXSID: DTXSID701290336
ChEMBL: CHEMBL258517
UNII: Z537UA4VGX
EC Number: 621-214-6
Nikkaji: J455.571F

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 21.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 181

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical structure

Physicochemical properties

storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
color: Off-White to Pale Beige
FDA UNII: 537 UA4VGX · Z537UA4VGX
Symbol(GHS): 7 · GHS07,GHS05,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H335-H400-H318-H315
Precautionary statements: 273 · P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
RIDADR: 3077 · UN3077
HazardClass: 9 · 9
Limited Quantities: 5 kg · 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

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (97.5%)

Safety data

ridadr: UN3077
Signal word: Danger
Symbol(GHS): GHS07,GHS05,GHS09
hazard_class: 9
Hazard statements: H302-H335-H400-H318-H315
Limited Quantities: 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310