CAS 36177-92-1 n-Butyl-2,2,6,6-tetramethyl-4-piperidinamine (HCID 118285)

Substructure search Find similar structures

Basic information

CAS: 36177-92-1
Standard SMILES: CCCCNC1CC(C)(C)NC(C)(C)C1
InChIKey: FDAKZQLBIFPGSV-UHFFFAOYSA-N
Molecular formula: C13H28N2
Average molar mass: 212.37 g/mol
Monoisotopic mass: 212.2252489

Names & identifiers

Preferred name: n-Butyl-2,2,6,6-tetramethyl-4-piperidinamine
IUPAC: N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
English name: N-Butyl triacetonediamine
Molecular formula: C13H28N2
Molecular weight: 212.37

Names & synonyms

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

Show more names

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

Database identifiers

CAS: 36177-92-1

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 24.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 181

Experimental & physicochemical properties

Physical DescriptionLiquid; Large Crystals

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

Physicochemical properties

Boiling point: 249.7 · 249.7±8.0 °C(Predicted)
Density: 0.87 · 0.87±0.1 g/cm3(Predicted)
vapor pressure: 3 Pa · 3Pa at 20℃
pka: 10.89 · 10.89±0.10(Predicted)
Viscosity: 7.964 mm2/s · 7.964mm2/s
Water Solubility: 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℃

Safety & regulation

GHS classification

GHS Classification · 4 items

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.

Hazard information

Regulatory Information · 3 items

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%)

Safety data

tsca: TSCA listed
risk_code: 22
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xn
Hazard statements: H412-H318-H302-H314-H312
REACH Registrations: Active
Precautionary statements: P280-P302+P352-P312-P322-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P273-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 1,000,000 - <2,500,000 lb

Consumer UsesUV stabilizer

Industry UsesUV stabilizer

General Manufacturing Information · 2 items

All Other Chemical Product and Preparation Manufacturing

4-Piperidinamine, N-butyl-2,2,6,6-tetramethyl-: ACTIVE

Applications

UsesN-BUTYL TRIACETONEDIAMINE is mainly used as an intermediate in hindered amine stabilizers. It can also be used as a raw material for the synthesis of polymerization inhibitors.