Benzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-

HCID 154406CAS 74852-62-3

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(N2CCN(c3ccc(N)cc3)CC2)cc1
InChIKey: VXEGSRKPIUDPQT-UHFFFAOYSA-N
Molecular formula: C17H21N3O
Average molar mass: 283.37 g/mol
Monoisotopic mass: 283.16846229

Names & identifiers

Preferred name: Benzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-
IUPAC: 4-[4-(4-methoxyphenyl)piperazin-1-yl]aniline
English name: 1-(4-Aminophenyl)-4-(4-methoxyphenyl)piperazine
Molecular formula: C17H21N3O
Molecular weight: 283.37

Names & synonyms

74852-62-31-(4-Aminophenyl)-4-(4-methoxyphenyl)piperazine4-(4-(4-Methoxyphenyl)piperazin-1-yl)aniline4-[4-(4-methoxyphenyl)piperazin-1-yl]anilineBenzenamine, 4-(4-(4-methoxyphenyl)-1-piperazinyl)-4-(4-(4-Methoxyphenyl)-1-piperazinyl)benzenamine4-[4-(4-methoxyphenyl)-1-piperazinyl]benzenamineDTXSID00225817Benzenamine, 4-[4-(4-methoxyphenyl)-1-piperazinyl]-RefChem:561854DTXCID30148308616-146-9

Show more names

AKOS B033041Compound PDK03564-(4-(4-Methoxyphenyl)Itraconazole Impurity 25Posaconazole Impurity 1081-(4-METHOXYPHEAYL)-4-(4-AMINOPHENYL)PIPERAZINE1-(4-METHOXYPHEAYL)-4-(4-AMINOPHENGL)PIPERAZINE

800-112-7MFCD020714964-[4-(4-METHYLOXY-PHENYL)-PIPERAZIN-1-YL]-PHENYLAMINEItraconazole Methoxy Amino Impurity1-(4-methoxyphenyl)-4-(4-aminophenyl)piperazine4-[4-(4-methoxyphenyl)-1-piperazinyl]aniline1-(4-Methoxyphenyl)-4-(4-aminophenyl)piperazine;4-(4-(4-methoxyphenyl)piperazin-1-yl)aniline49FH2V7SBG

Database identifiers

CAS: 74852-62-3
PubChem CID: 154406
DTXSID: DTXSID00225817
UNII: 49FH2V7SBG
EC Number: 616-146-9

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 41.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 301

Physicochemical properties

Melting point: 186 °C · 186 °C
Boiling point: 506.7 · 506.7±50.0 °C(Predicted)
Density: 1.165 · 1.165±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly), Dichloromethane (Slightly)
form: Solid
pka: 7.69 · 7.69±0.10(Predicted)
color: Dark Purple to Dark Grey
InChI: InChI=1S/C17H21N3O/c1-21-17-8-6-16(7-9-17)20-12-10-19(11-13-20)15-4-2-14(18)3-5-15/h2-9H,10-13,18H2,1H3
InChIKey: VXEGSRKPIUDPQT-UHFFFAOYSA-N
SMILES: C1(N)=CC=C(N2CCN(C3=CC=C(OC)C=C3)CC2)C=C1
CAS DataBase Reference: 74852 · 74852-62-3(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

hs_code: 2933599590
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313