Name: N,N-DI-N-BUTYLETHYLENEDIAMINE
SKU: 3529-09-7

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Basic Information

Molecular Structure:
CAS No.:	3529-09-7
Name:	N,N-DI-N-BUTYLETHYLENEDIAMINE
Article Data:	17

Formula:	C₁₀H₂₄N₂
Molecular Weight:	172.314
Synonyms:	1,2-Ethanediamine,N,N-dibutyl- (9CI);Ethylenediamine, N,N-dibutyl- (6CI,7CI,8CI);2-(Dibutylamino)ethylamine;N,N-Dibutyl-1,2-ethanediamine;N,N-Dibutylethylenediamine;NSC 100948;
EINECS:	222-558-6
Density:	0.842 g/cm³
Melting Point:	187-188 °C
Boiling Point:	218.6 °C at 760 mmHg
Flash Point:	87.8 °C
Hazard Symbols:	R34:Causes burns.;
Risk Codes:	34
Safety:	26-36/37/39-45
Transport Information:	UN 2735
PSA:	29.26000
LogP:	2.54760

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Specification

This chemical is called 1,2-Ethanediamine,N¹,N¹-dibutyl-, and its systematic name is . With the molecular formula of C₁₀H₂₄N₂, its molecular weight is 172.31. The CAS registry number of this chemical is 3529-09-7. Additionally, this chemcial is also named as N,N-Dibutylethylenediamine.

Other characteristics of the 1,2-Ethanediamine,N¹,N¹-dibutyl- can be summarised as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.6; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1.92; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 55.63 cm³; (15)Molar Volume: 204.5 cm³; (16)Polarizability: 22.05×10^-24cm³; (17)Surface Tension: 31.5 dyne/cm; (18)Density: 0.842 g/cm³; (19)Flash Point: 87.8 °C; (20)Enthalpy of Vaporization: 45.5 kJ/mol; (21)Boiling Point: 218.6 °C at 760 mmHg; (22)Vapour Pressure: 0.125 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: NCCN(CCCC)CCCC
2.InChI: InChI=1/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3
3.InChIKey: PWNDYKKNXVKQJO-UHFFFAOYAU