N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine supplier

Name
N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine
EINECS 219-145-8
CAS No. 2372-82-9
Article Data7
CAS DataBase
Density 0.88 g/cm³
Solubility 190g/L at 20℃
Melting Point
Formula C₁₈H₄₁N₃
Boiling Point 386.1 °C at 760mmHg
Molecular Weight 299.544
Flash Point 184.5 °C
Transport Information 2735
Appearance Liquid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 55.28000
LogP 5.30750

Synthetic route

: 1555-62-0
N-dodecyl-2,2'-iminodipropionitrile

: 2372-82-9
N-(3-aminopropyl)-N-dodecyl-1,3-propanediamine

Conditions

Conditions	Yield
With ethanol; nickel at 95℃; under 14710.2 Torr; Hydrogenation;
With ammonia; hydrogen; nickel In methanol under 2585.81 Torr; for 24h;

: 124-22-1
n-Dodecylamine

: 2372-82-9
N-(3-aminopropyl)-N-dodecyl-1,3-propanediamine

Conditions

Conditions	Yield
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

concentrated acetic acid: concentrated acetic acid

: 124-22-1
n-Dodecylamine

: 107-13-1
acrylonitrile

: 2372-82-9
N-(3-aminopropyl)-N-dodecyl-1,3-propanediamine

Conditions

Conditions	Yield
In methanol; water
In methanol; water

...Expand

: 123-91-1
1,4-dioxane

: 1555-62-0
N-dodecyl-2,2'-iminodipropionitrile

: 2372-82-9
N-(3-aminopropyl)-N-dodecyl-1,3-propanediamine

N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine Specification

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

Product Name

N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine

Synthetic route

N-(3-aminopropyl)-N-dodecylpropane-1,3-diamine Specification

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