4-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylaniline

HCID 855075

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Basic information

CAS: 13159-99-4
Standard SMILES: COc1ccc(NCc2ccc(N(C)C)cc2)cc1
InChIKey: RDKKBVHEHXPZQH-UHFFFAOYSA-N
Molecular formula: C16H20N2O
Average molar mass: 256.34 g/mol
Monoisotopic mass: 256.15756327

Names & identifiers

Preferred name: 4-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylaniline
IUPAC: 4-[(4-methoxyanilino)methyl]-N,N-dimethylaniline
English name: N-[4-(Dimethylamino)benzyl]-N-(4-methoxyphenyl)amine
Molecular formula: C16H20N2O
Molecular weight: 256.34

Names & synonyms

13159-99-44-(((4-Methoxyphenyl)amino)methyl)-N,N-dimethylanilineN-{[4-(dimethylamino)phenyl]methyl}-4-methoxyanilineN-[4-(dimethylamino)benzyl]-N-(4-methoxyphenyl)amine4-[(4-methoxyanilino)methyl]-N,N-dimethylanilineCHEMBL35942684-{[(4-methoxyphenyl)amino]methyl}-N,N-dimethylanilineBenzenemethanamine, 4-(dimethylamino)-N-(4-methoxyphenyl)-4-[[(4-Methoxyphenyl)amino]methyl]-N,N-dimethylanilineOprea1_016005SCHEMBL856452DTXSID40357626

Show more names

N-[(4-diMethylaMinophenyl)Methyl]-4-Methoxy-anilineN4,N4-DIMETHYL-N-ALPHA-(PARA-METHOXYPHENYL)-ALPHA,4-TOLUENEDIAMINE

RDKKBVHEHXPZQH-UHFFFAOYSA-NBDBM50498373MFCD00086826AKOS000241600SB81936SY144108CS-0224163EN300-11804

Database identifiers

CAS: 13159-99-4
PubChem CID: 855075
DTXSID: DTXSID40357626
ChEMBL: CHEMBL3594268
EC Number: 634-348-5

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 24.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 241

Physicochemical properties

storage temp.: 2 · 2-8°C, protect from light
Appearance: White to yellow Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H302
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501