4-[2-(4-Methylpiperazin-1-yl)ethyl]aniline

HCID 24255480

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Basic information

CAS: 262368-48-9
Standard SMILES: CN1CCN(CCc2ccc(N)cc2)CC1
InChIKey: BKUWHZDNFSRARB-UHFFFAOYSA-N
Molecular formula: C13H21N3
Average molar mass: 219.33 g/mol
Monoisotopic mass: 219.17354767

Names & identifiers

Preferred name: 4-[2-(4-Methylpiperazin-1-yl)ethyl]aniline
IUPAC: 4-[2-(4-methylpiperazin-1-yl)ethyl]aniline
English name: 4-[2-(4-methylpiperazin-1-yl)ethyl]aniline
Molecular formula: C13H21N3
Molecular weight: 219.33

Names & synonyms

4-[2-(4-methylpiperazin-1-yl)ethyl]aniline4-(2-(4-Methylpiperazin-1-yl)ethyl)anilineDTXSID20640523RefChem:517257DTXCID30591274899-564-6262368-48-94-[2-(4-Methyl-piperazin-1-yl)-ethyl]-phenylamineMFCD098847594-[2-(4-Methyl-1-piperazinyl)ethyl]anilineSCHEMBL1509554BKUWHZDNFSRARB-UHFFFAOYSA-N

Show more names

OTAVA-BB 1036666[4-[2-(4-METHYLPIPERAZIN-1-YL)ETHYL]PHENYL]AMINEBenzenamine, 4-[2-(4-methyl-1-piperazinyl)ethyl]-

MKA36848AKOS000256928SY1740684-[2-(N-methylpiperazino)-ethyl]-anilineDB-067584CS-0216580EN300-517384-[2-(4-Methyl-piperazin-1-yl)ethyl]aniline

Database identifiers

CAS: 262368-48-9
PubChem CID: 24255480
DTXSID: DTXSID20640523
EC Number: 899-564-6

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 32.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 191

Physicochemical properties

storage temp.: Store at Room Tem.
form: solid
InChI: 1S/C13H21N3/c1-15-8-10-16(11-9-15)7-6-12-2-4-13(14)5-3-12/h2-5H,6-11,14H2,1H3
InChIKey: BKUWHZDNFSRARB-UHFFFAOYSA-N
SMILES: NC(C=C1)=CC=C1CCN2CCN(C)CC2
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
WGK Germany: 3 · WGK 3
HS Code: 2922390090 · 2922390090
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: WGK 3
hs_code: 2922390090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501