4,4'-Methylenebis(N-sec-butylaniline) supplier

Name
4,4'-methylenebis[N-sec-butylaniline]
EINECS 226-122-6
CAS No. 5285-60-9
Article Data1
CAS DataBase
Density 1.009 g/cm³
Solubility 1.5mg/L at 20℃
Melting Point
Formula C₂₁H₃₀N₂
Boiling Point 458.2 °C at 760 mmHg
Molecular Weight 310.483
Flash Point 272.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aniline,4,4'-methylenebis[N-sec-butyl- (7CI,8CI);4,4'-Bis(sec-butylamino)diphenylmethane;4,4'-Methylenebis[N-sec-butylaniline];Bis(N-sec-butyl-p-aminophenyl)methane;DBMDA;N,N'-Di(2-butyl)-4,4'-methylenedianiline;N,N'-Di-sec-butyl-4,4'-methylenedianiline;UOP 225;Unilink 4200;
PSA 24.06000
LogP 5.84420

4,4'-Methylenebis(N-sec-butylaniline) Specification

The IUPAC name of 4,4'-Methylenebis(N-sec-butylaniline) is N-butan-2-yl-4-[[4-(butan-2-ylamino)phenyl]methyl]aniline. With the CAS registry number 5285-60-9, it is also named as 4,4'-Bis(sec-butylamino)diphenylmethane. The product's other registry numbers are 106388-88-9; 69522-77-6. In addition, its molecular formula is C₂₁H₃₀N₂ and its molecular weight is 310.48. This chemical is used for producing soft foam, rigid foam, coatings, adhesives, elastomers and so on.

The other characteristics of 4,4'-Methylenebis(N-sec-butylaniline) can be summarized as: (1)EINECS: 226-122-6; (2)ACD/LogP: 5.78; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 4.71; (5)ACD/LogD (pH 7.4): 5.75; (6)ACD/BCF (pH 5.5): 1245.32; (7)ACD/BCF (pH 7.4): 13642.95; (8)ACD/KOC (pH 5.5): 2841.42; (9)ACD/KOC (pH 7.4): 31128.78; (10)H bond acceptors: 2; (11)H bond donors: 2; (12)Freely Rotating Bonds: 8; (13)Polar Surface Area: 6.48 Å²; (14)Index of Refraction: 1.581; (15)Molar Refractivity: 102.5 cm³; (16)Molar Volume: 307.5 cm³; (17)Polarizability: 40.63×10^-24cm³; (18)Surface Tension: 39.2 dyne/cm; (19)Density: 1.009 g/cm³; (20)Flash Point: 272.3 °C; (21)Enthalpy of Vaporization: 71.84 kJ/mol; (22)Boiling Point: 458.2 °C at 760 mmHg; (23)Vapour Pressure: 1.4E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:N(c1ccc(cc1)Cc2ccc(NC(C)CC)cc2)C(CC)C
(2)InChI:InChI=1/C21H30N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h7-14,16-17,22-23H,5-6,15H2,1-4H3
(3)InChIKey:YZZTZUHVGICSCS-UHFFFAOYAH
(4)Std. InChI:InChI=1S/C21H30N2/c1-5-16(3)22-20-11-7-18(8-12-20)15-19-9-13-21(14-10-19)23-17(4)6-2/h7-14,16-17,22-23H,5-6,15H2,1-4H3
(5)Std. InChIKey:YZZTZUHVGICSCS-UHFFFAOYSA-N

Product Name

4,4'-methylenebis[N-sec-butylaniline]

4,4'-Methylenebis(N-sec-butylaniline) Specification

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