1-N,4-N-bis(butan-2-yl)benzene-1,4-diamine

• ChemBase ID: 107027
• Molecular Formular: C14H24N2
• Molecular Mass: 220.35376
• Monoisotopic Mass: 220.19394878
• SMILES: CCC(C)Nc1ccc(NC(C)CC)cc1
• Canonical SMILES: CCC(Nc1ccc(cc1)NC(CC)C)C
• InChI: InChI=1S/C14H24N2/c1-5-11(3)15-13-7-9-14(10-8-13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3
• InChIKey: FSWDLYNGJBGFJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N,4-N-bis(butan-2-yl)benzene-1,4-diamine
• IUPAC Traditional name: 1-N,4-N-bis(sec-butyl)benzene-1,4-diamine
• Synonyms: N1,N4-Di-sec-butylbenzene-1,4-diamine; N,N'-1,4-bis(sec-BUTYLAMINO)BENZENE; N,N′-Di-sec-butyl-p-phenylenediamine; N,N′-di-sec-butyl-1,4-phenylenediamine; N,N'-bis(1-methylpropyl)-1,4-benzenediamine; N,N'-Di-2-butyl-1,4-phenylenediamine; N,N′-二仲丁基对苯二胺

Database IDs

• CAS Number: 101-96-2
• EC Number: 202-992-2
• MDL Number: MFCD00043658
• Beilstein Number: 2805827
• PubChem SID: 162093698
• PubChem CID: 7589
• Wikipedia Title: N,N'-Di-2-butyl-1,4-phenylenediamine

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9089836
• LogD (pH = 7.4): 3.3285077
• Log P: 3.5106127
• Molar Refractivity: 73.8284 cm^3
• Polarizability: 27.381989 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 100 °C; 212 °F
• Density: 0.942 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.539

Safety Information

• European Hazard Symbols: Nature polluting (N); Toxic (T)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 25-34-43-50/53
• Safety Statements: 26-36/37/39-45-61
• GHS Pictograms: GHS05; GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H315-H317-H318-H400
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2922 8/PG 2

Product Information

• Purity: ≥94.0% (GC); 95%; 95+%
• Empirical Formula (Hill Notation): C14H24N2

DETAILS

MP Biomedicals - 05202276

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 90502

Other Notes
This former Fluka product is now being offered as Aldrich brand product. During the transition, you still may receive the Fluka product. The rebranding has no impact on product performance or quality. Printing link to product rebranding statement
Packaging
10, 50 mL in glass bottle