2-(4-Methylpiperazin-1-yl)aniline

HCID 286547

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Basic information

CAS: 180605-36-1
Standard SMILES: CN1CCN(c2ccccc2N)CC1
InChIKey: INWHDRNGZMHXEZ-UHFFFAOYSA-N
Molecular formula: C11H17N3
Average molar mass: 191.27 g/mol
Monoisotopic mass: 191.14224754

Overview

2-(4-methyl-1-piperazinyl)aniline is a member of piperazines.

Names & identifiers

Preferred name: 2-(4-Methylpiperazin-1-yl)aniline
IUPAC: 2-(4-methylpiperazin-1-yl)aniline
English name: 2-(4-Methylpiperazin-1-yl)aniline
Molecular formula: C11H17N3
Molecular weight: 191.27

Names & synonyms

2-(4-methylpiperazin-1-yl)aniline180605-36-1DTXSID60301626RefChem:252708DTXCID60252760641-312-22-(4-Methyl-1-piperazinyl)aniline2-(4-methylpiperazino)anilineBenzenamine, 2-(4-methyl-1-piperazinyl)-2-(4-Methyl-piperazin-1-yl)-phenylamineMFCD04035359CHEMBL1879790

Show more names

AKOS B021944AKOS BB-7895ASISCHEM Z51464CHEMBRDG-BB 4010388ART-CHEM-BB B021944TIMTEC-BB SBB0071332-(4-Methylpiperazine)aniline2-(4-Methyl-1-Piperazinyl)Anil2-(4-methylpiperazin-1-yl)anil

2-(4-methylpiperazinyl)phenylamineNSC1450031-(2-Aminophenyl)-4-methylpiperazineMLS000528973orb3031224SCHEMBL1926749SCHEMBL29036649SCHEMBL29586390

Database identifiers

CAS: 180605-36-1
PubChem CID: 286547
DTXSID: DTXSID60301626
ChEMBL: CHEMBL1879790
ChEBI: CHEBI:113157
EC Number: 641-312-2

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 32.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 175

Physicochemical properties

Melting point: 101 °C · 101 °C
Boiling point: 321.2 · 321.2±37.0 °C(Predicted)
Density: 1.092 · 1.092±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: powder to crystal
pka: 7.91 · 7.91±0.40(Predicted)
color: White to Light yellow
CAS DataBase Reference: 180605 · 180605-36-1(CAS DataBase Reference)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H314
Precautionary statements: 501 · P501-P260-P270-P271-P264-P280-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405
Hazard Codes: T,Xi,C
Risk Statements: 20 · 20/21/22-34-36
Safety Statements: 22 · 22-26-36/37/39-45
RIDADR: 3263 · UN 3263 8/PG III
Hazard Note: Toxic
HazardClass: IRRITANT
PackingGroup: III
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (33.3%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 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 (66.7%)

Safety data

ridadr: UN 3263 8/PG III
hs_code: 2933599590
risk_code: 20/21/22-34-36
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: T,Xi,C
hazard_note: Toxic
safety_code: 22-26-36/37/39-45
hazard_class: IRRITANT
packing_group: III
Hazard statements: H302+H312+H332-H314
Precautionary statements: P501-P260-P270-P271-P264-P280-P362+P364-P303+P361+P353-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P405