CAS No.135-91-1,N1,N1-DIETHYL-4-[4-(DIETHYLAMINO)BENZYL]ANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	135-91-1
Name:	N1,N1-DIETHYL-4-[4-(DIETHYLAMINO)BENZYL]ANILINE
Article Data:	22

Formula:	C₂₁H₃₀N₂
Molecular Weight:	310.483
Synonyms:	Aniline,4,4'-methylenebis[N,N-diethyl- (7CI,8CI);Aniline,p,p'-methylenebis[N,N-diethyl- (3CI);4,4'-Bis(diethylamino)diphenylmethane;4,4'-Tetraethyldiaminodiphenylmethane;N,N,N',N'-Tetraethyl-4,4'-diaminodiphenylmethane;
EINECS:	205-224-4
Density:	0.998g/cm³
Melting Point:	43.5-44 °C
Boiling Point:	443.5 °C at 760 mmHg
Flash Point:	198.3 °C
PSA:	6.48000
LogP:	4.96980

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Specification

The Benzenamine,4,4'-methylenebis[N,N-diethyl-, with CAS registry number 135-91-1, has the systematic name of 4,4'-methanediylbis(N,N-diethylaniline). Besides this, it is also called N1,N1-Diethyl-4-[4-(diethylamino)benzyl]aniline. And the chemical formula of this chemical is C₂₁H₃₀N₂. What's more, its EINECS is 205-224-4.

Physical properties of Benzenamine,4,4'-methylenebis[N,N-diethyl-: (1)ACD/LogP: 6.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 6.34; (5)ACD/BCF (pH 5.5): 159.79; (6)ACD/BCF (pH 7.4): 34701.56; (7)ACD/KOC (pH 5.5): 248.66; (8)ACD/KOC (pH 7.4): 54000.65; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 102.72 cm³; (15)Molar Volume: 310.8 cm³; (16)Polarizability: 40.72×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 0.998 g/cm³; (19)Flash Point: 198.3 °C; (20)Enthalpy of Vaporization: 70.12 kJ/mol; (21)Boiling Point: 443.5 °C at 760 mmHg; (22)Vapour Pressure: 4.61E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N(c1ccc(cc1)Cc2ccc(N(CC)CC)cc2)(CC)CC
(2)InChI: InChI=1/C21H30N2/c1-5-22(6-2)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)23(7-3)8-4/h9-16H,5-8,17H2,1-4H3
(3)InChIKey: MIERBLCDXYWVTF-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C21H30N2/c1-5-22(6-2)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)23(7-3)8-4/h9-16H,5-8,17H2,1-4H3
(5)Std. InChIKey: MIERBLCDXYWVTF-UHFFFAOYSA-N