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

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Name

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

EINECS 226-122-6
CAS No. 5285-60-9 Density 1.009 g/cm3
PSA 24.06000 LogP 5.84420
Solubility 1.5mg/L at 20℃ Melting Point N/A
Formula C21H30N2 Boiling Point 458.2 °C at 760 mmHg
Molecular Weight 310.483 Flash Point 272.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5285-60-9 (4,4'-methylenebis[N-sec-butylaniline]) Hazard Symbols N/A
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;

Article Data 1

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

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