N-(2-{[2,6-bis(propan-2-yl)phenyl]amino}ethyl)-2,6-bis(propan-2-yl)aniline

• ChemBase ID: 141006
• Molecular Formular: C26H40N2
• Molecular Mass: 380.6092
• Monoisotopic Mass: 380.31914929
• SMILES: CC(C)c1cccc(c1NCCNc1c(cccc1C(C)C)C(C)C)C(C)C
• Canonical SMILES: CC(c1cccc(c1NCCNc1c(cccc1C(C)C)C(C)C)C(C)C)C
• InChI: InChI=1S/C26H40N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20,27-28H,15-16H2,1-8H3
• InChIKey: RVMDHNMIJJBYQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{[2,6-bis(propan-2-yl)phenyl]amino}ethyl)-2,6-bis(propan-2-yl)aniline; N1,N2-bis[2,6-bis(propan-2-yl)phenyl]ethane-1,2-diamine
• IUPAC Traditional name: N-{2-[(2,6-diisopropylphenyl)amino]ethyl}-2,6-diisopropylaniline; N1,N2-bis(2,6-diisopropylphenyl)ethane-1,2-diamine
• Synonyms: N,N′-Bis(2,6-diisopropylphenyl)-1,2-ethanediamine; N,N′-Bis(2,6-diisopropylphenyl)ethylenediamine; N1,N2-Bis(2,6-diisopropylphenyl)ethane-1,2-diaMine; N,N′-双(2,6-二异丙基苯基)-1,2-乙二胺; N,N′-双(2,6-二异丙基苯基)乙二胺

Database IDs

• CAS Number: 134030-22-1
• MDL Number: MFCD10000903
• PubChem SID: 162235242
• PubChem CID: 5248041

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 7.6590824
• LogD (pH = 7.4): 7.700012
• Log P: 7.7005596
• Molar Refractivity: 127.2978 cm^3
• Polarizability: 47.77574 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 101-106 °C

Product Information

• Purity: 95%; 97%
• Linear Formula: (C3H7)2C6H3NHCH2CH2NHC6H3(C3H7)2

DETAILS

Sigma Aldrich - 693960

Packaging
1, 5 g in glass bottle