4-(4-Benzylpiperazin-1-yl)aniline

HCID 737259

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Basic information

CAS: 16154-69-1
Standard SMILES: Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
InChIKey: PZWVVLZWQWIEAV-UHFFFAOYSA-N
Molecular formula: C17H21N3
Average molar mass: 267.37 g/mol
Monoisotopic mass: 267.17354768

Names & identifiers

Preferred name: 4-(4-Benzylpiperazin-1-yl)aniline
IUPAC: 4-(4-benzylpiperazin-1-yl)aniline
English name: 4-(4-Benzylpiperazino)aniline
Molecular formula: C17H21N3
Molecular weight: 267.37

Names & synonyms

4-(4-benzylpiperazin-1-yl)anilineRefChem:513845858-007-716154-69-14-(4-Benzylpiperazin-1-yl)phenylamine4-(4-Benzylpiperazino)anilineMFCD00172704Benzenamine, 4-[4-(phenylmethyl)-1-piperazinyl]-C17H21N34-(4-Benzyl-piperazin-1-yl)aniline4-(4-Benzyl-piperazin-1-yl)-phenylamine4-[4-benzylpiperazinyl]phenylamine

Show more names

AKOS B033035AKOS BB-8555ASISCHEM W57184TIMTEC-BB SBB0101024-(4-benzylpiperazino)phenylamine1-(4-AMINOPHENYL)-4-BENZYLPIPERAZINE4-(4-Benzylpiperazin-1-yl)phenylamine95%4-[4-(phenylmethyl)piperazin-1-yl]aniline

4-[4-(phenylmethyl)-1-piperazinyl)benzeneamine4-[4-(phenylmethyl)-1-piperazinyl]benzeneamineOprea1_057729Oprea1_6806134-(N-benzylpiperazino)anilineSCHEMBL654308PZWVVLZWQWIEAV-UHFFFAOYSA-N4-(4-benzyl-1-piperazinyl)aniline

Database identifiers

CAS: 16154-69-1
PubChem CID: 737259
EC Number: 858-007-7

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 32.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 272

Physicochemical properties

Melting point: 140 · 140-142°C
Boiling point: 446.3 · 446.3±45.0 °C(Predicted)
Density: 1.145 · 1.145±0.06 g/cm3(Predicted)
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
solubility: Chloroform (Slightly), Methanol (Slightly)
pka: 7.83 · 7.83±0.10(Predicted)
form: Solid
color: Brown
InChI: 1S/C17H21N3/c18-16-6-8-17(9-7-16)20-12-10-19(11-13-20)14-15-4-2-1-3-5-15/h1-9H,10-14,18H2
InChIKey: PZWVVLZWQWIEAV-UHFFFAOYSA-N
SMILES: Nc1ccc(cc1)N2CCN(CC2)Cc3ccccc3
CAS DataBase Reference: 16154 · 16154-69-1(CAS DataBase Reference)
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338
Hazard Codes: Xi
WGK Germany: 3 · WGK 3
HazardClass: IRRITANT
HS Code: 2933599590 · 2933599590
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.