2,5-di-tert-Butylaniline

HCID 605488

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Basic information

CAS: 21860-03-7
Standard SMILES: CC(C)(C)c1ccc(C(C)(C)C)c(N)c1
InChIKey: NUZVLYNISQOZOW-UHFFFAOYSA-N
Molecular formula: C14H23N
Average molar mass: 205.34 g/mol
Monoisotopic mass: 205.18304974

Overview

See also: Benzenamine, 2,5-bis(1,1-dimethylethyl)- (annotation moved to).

Names & identifiers

Preferred name: 2,5-di-tert-Butylaniline
IUPAC: 2,5-ditert-butylaniline
English name: 2,5-DI-TERT-BUTYLANILINE
Molecular formula: C14H23N
Molecular weight: 205.34

Names & synonyms

2,5-di-tert-ButylanilineDTXSID50345559RefChem:1060064DTXCID9029663221860-03-72,5-ditert-butylaniline2,5-di-t-butylanilineMFCD00010338A1MHN25-Di-tert-butylanilineSCHEMBL2972752,5-Di-tert-butylbenzenamine#

Show more names

2,5-di-tert-butylbenzenamine2,5-Di-tert-butylaniline 99%Benzenamine, 2,5-bis(1,1-dimethylethyl)-

CHEMBL17954112,5-Di-tert-butylaniline, 99%AKOS0159128832,5-bis[(1,1-dimethyl)ethyl]anilineSB78242BS-22814DA-08123FD174861

Database identifiers

CAS: 21860-03-7
PubChem CID: 605488
DTXSID: DTXSID50345559
ChEMBL: CHEMBL1795411
Nikkaji: J1.610.111G

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 206

Physicochemical properties

Melting point: 103 · 103-106 °C (lit.)
form: powder
BRN: 2691916 · 2691916
InChI: 1S/C14H23N/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9H,15H2,1-6H3
InChIKey: NUZVLYNISQOZOW-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(c(N)c1)C(C)(C)C
CAS DataBase Reference: 21860 · 21860-03-7
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses2,5-Di-tert-butylaniline has been used in the preparation of:new rigid bidentate nitrogen ligands 1,2-bis[(2,5-di-tert-butylphenyl)imino]acenaphthene (dtb-BIAN)N-(2,5-di-tert-butylphenyl)perylene-3,4-dicarboximide