N-Butyl-2,2,6,6-tetramethylpiperidin-4-amin

n-Butyl-2,2,6,6-tetramethyl-4-piperidinamine

HCID 118285CAS 36177-92-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CCCCNC1CC(C)(C)NC(C)(C)C1
InChIKey: FDAKZQLBIFPGSV-UHFFFAOYSA-N
Summenformel: C13H28N2
Durchschnittliche Molmasse: 212,37 g/mol
Monoisotopische Masse: 212,2252489

Namen und Bezeichner

Bevorzugter Name: n-Butyl-2,2,6,6-tetramethyl-4-piperidinamine
IUPAC: N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
Lokaler Name: N-Butyl-2,2,6,6-tetramethylpiperidin-4-amin
Englischer Name: N-Butyl triacetonediamine
Summenformel: C13H28N2
Molmasse: 212.37

Namen und Synonyme

N-Butyl-2,2,6,6-tetramethylpiperidin-4-aminen-butyl-2,2,6,6-tetramethyl-4-piperidinamineDTXSID70449264-Piperidinamine, N-butyl-2,2,6,6-tetramethyl-EINECS 252-899-6UNII-F0H0109ZFKF0H0109ZFK4-n-butylamino-2,2,6,6-tetramethylpiperidine4-(Butylamino)-2,2,6,6-tetramethylpiperidineDTXCID50249262,2,6,6-tetramethyl-4-(butylamino)piperidineEC 252-899-6

Weitere Namen anzeigen

N-BUTYL-TADN-ButylpiperidinamineN-Butyl-2,2,6,6-tetramethyl-4-piperidineN-Butyl-2,2,6,6-tetramethylpiperidin-4-aminN-Butyl-2,2,6,6-tetramethylpiperidine-4-amine

n-(2,2,6,6-tetramethyl-4-piperidinyl)butylamine2,2,6,6-TETRAMETHYL-N-BUTYL-4-PIPERIDINAMINEN-(2,2,6,6-TETRAMETHYL-4-PIPERIDYL)BUTANAMINEN-BUTYL-2,2,6,6-TETRAMETHYL-4-PIPERIDINEAMINEBUTYL-(2,2,6,6-TETRAMETHYLPIPERIDIN-4-YL)-AMINERefChem:20208236177-92-1N-BUTYL TRIACETONEDIAMINE

Datenbank-Bezeichner

CAS: 36177-92-1
PubChem CID: 118285
DTXSID: DTXSID7044926
ChEMBL: CHEMBL3188832
UNII: F0H0109ZFK
EC Number: 252-899-6
Nikkaji: J319.577E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 24,1 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 15
Formalladung: 0
Komplexität: 181

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid; Large Crystals

Collision Cross Section154.0 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID7044926]

Physikochemische Eigenschaften

Siedepunkt: 249.7 · 249.7±8.0 °C(Predicted)
Dichte: 0.87 · 0.87±0.1 g/cm3(Predicted)
Dampfdruck: 3 Pa · 3Pa at 20℃
pka: 10.89 · 10.89±0.10(Predicted)
Wasserlöslichkeit: 797.5 g/L · 797.5g/L at 20℃
InChI: InChI=1S/C13H28N2/c1-6-7-8-14-11-9-12(2,3)15-13(4,5)10-11/h11,14-15H,6-10H2,1-5H3
InChIKey: FDAKZQLBIFPGSV-UHFFFAOYSA-N
SMILES: N1C(C)(C)CC(NCCCC)CC1(C)C
LogP: 2.88 at · 2.88 at 25℃
EPA chemische Informationen: 4 · 4-Piperidinamine, N-butyl-2,2,6,6-tetramethyl- (36177-92-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

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

P260, P264, P264+P265, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 113 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

4-Piperidinamine, N-butyl-2,2,6,6-tetramethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Piperidinamine, N-butyl-2,2,6,6-tetramethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 21-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13780

Hazard Classes and CategoriesAcute Tox. 4 (100%)