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CAS No.: | 2372-82-9 |
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Name: | N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C18H41N3 |
Molecular Weight: | 299.544 |
Synonyms: | 1,3-Propanediamine,N1-(3-aminopropyl)-N1-dodecyl-;1,3-Propanediamine,N-(3-aminopropyl)-N-dodecyl- (9CI);Dodecylamine, N,N-bis(3-aminopropyl)-(6CI,7CI,8CI);Lonzabac 12;Lonzabac 12.100;Lonzabac 1230;N,N-Bis(3-aminopropyl)dodecylamine;N,N-Bis(3-aminopropyl)laurylamine;RC 5637;Triameen Y 12; |
EINECS: | 219-145-8 |
Density: | 0.88 g/cm3 |
Boiling Point: | 386.1 °C at 760mmHg |
Flash Point: | 184.5 °C |
Solubility: | 190g/L at 20℃ |
Appearance: | Liquid |
Transport Information: | 2735 |
PSA: | 55.28000 |
LogP: | 5.30750 |
Conditions | Yield |
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With ethanol; nickel at 95℃; under 14710.2 Torr; Hydrogenation; | |
With ammonia; hydrogen; nickel In methanol under 2585.81 Torr; for 24h; |
Conditions | Yield |
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Multi-step reaction with 2 steps 1: 97 percent / methanol / 16 h / 45 °C 2: NH3; H2 / Raney nickel / methanol / 24 h / 2585.81 Torr View Scheme | |
Multi-step reaction with 2 steps 1: 210 °C 2: Raney nickel; ethanol / 95 °C / 14710.2 Torr / Hydrogenation View Scheme |
Conditions | Yield |
---|---|
In methanol; water | |
In methanol; water |
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The N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine is an organic compound with the formula C18H41N3. The IUPAC name of this chemical is N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine. With the CAS registry number 2372-82-9, it is also named as Bis(aminopropyl)laurylamine. The classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. It is liquid which is used as disinfectant for food processing industry, institutions, hospitals (surfaces and instruments).
Physical properties about N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine are: (1)ACD/LogP: 5.063; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.15; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 1.00 ; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 19; (12)Index of Refraction: 1.478; (13)Molar Refractivity: 96.232 cm3; (14)Molar Volume: 340.265 cm3; (15)Polarizability: 38.149 10-24cm3; (16)Surface Tension: 35.7509994506836 dyne/cm; (17)Density: 0.88 g/cm3; (18)Flash Point: 184.451 °C; (19)Enthalpy of Vaporization: 63.497 kJ/mol; (20)Boiling Point: 386.078 °C at 760 mmHg
People can use the following data to convert to the molecule structure.
1. SMILES:NCCCN(CCCN)CCCCCCCCCCCC
2. InChI:InChI=1/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3
3. InChIKey:NYNKJVPRTLBJNQ-UHFFFAOYAM