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1,3-Propanediamine,N1-dodecyl-
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Name

1,3-Propanediamine,N1-dodecyl-

 EINECS 226-902-6
CAS No. 5538-95-4 Density 0.839 g/cm3
PSA 38.05000 LogP 4.93690
Solubility N/A Melting Point 24.5-25.5 °C
Formula C15H34N2 Boiling Point 326 °C at 760 mmHg
Molecular Weight 242.448 Flash Point 176.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 5538-95-4 (LAURYLAMINO PROPYLAMINE) Hazard Symbols N/A
Synonyms

1,3-Propanediamine,N-dodecyl- (6CI,7CI,8CI,9CI);3-(Dodecylamino)-1-propanamine;3-(Dodecylamino)propylamine;3-(Laurylamino)propylamine;Diam 21;Dicrodamine1.12;Genamin LAP 100;Genamin LAP 100D;Laurylaminopropylamine;N-(3-Aminopropyl)dodecylamine;N-Dodecyl-1,3-diaminopropane;N-Dodecyl-1,3-propanediamine;N-Dodecyl-1,3-propylenediamine;N-Dodecyl-1,3-trimethylenediamine;N-Dodecyltrimethylenediamine;N-Lauryl-1,3-diaminopropane;N-Lauryltrimethylenediamine;NSC 28753;NSC 40165;RC 5635;

Article Data 9

1,3-Propanediamine,N1-dodecyl- Synthetic route

109-76-2

Trimethylenediamine

112-52-7

1-chlorododecane

5538-95-4

N-(1-dodecyl)-1,3-propanediamine

Conditions
ConditionsYield
In ethanol for 24h; Reflux;94%
In ethanol for 24h; Heating;53%
In ethanol for 24h; Reflux;
4763-40-0

N-(2-cyanoethyl)dodecylamine

5538-95-4

N-(1-dodecyl)-1,3-propanediamine

Conditions
ConditionsYield
With ammonia; nickel at 130℃; under 73550.8 Torr; Hydrogenation;
With cobalt catalyst at 80℃; under 147102 Torr; Hydrogenation;
4763-40-0

N-(2-cyanoethyl)dodecylamine

A

5538-95-4

N-(1-dodecyl)-1,3-propanediamine

B

57413-96-4

bis-(3-dodecylamino-propyl)-amine

Conditions
ConditionsYield
With nickel Hydrogenation;
124-22-1

n-Dodecylamine

5538-95-4

N-(1-dodecyl)-1,3-propanediamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 210 °C
2: Raney nickel; methanol.ammonia / 130 °C / 73550.8 Torr / Hydrogenation
View Scheme
51323-71-8

dodecyl mesylate

109-76-2

Trimethylenediamine

5538-95-4

N-(1-dodecyl)-1,3-propanediamine

Conditions
ConditionsYield
In ethanol Reflux;
5538-95-4

N-(1-dodecyl)-1,3-propanediamine

112811-72-0

1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid

C29H44FN3O4

Conditions
ConditionsYield
With triethylamine In acetonitrile for 24h; Heating;63%
70969-90-3, 134876-99-6, 134930-14-6

6-O-[(2R,S)-2,3-epoxypropyl]-1,2:3,4-di-O-isopropylidene-α-D-galactopyranose

5538-95-4

N-(1-dodecyl)-1,3-propanediamine

6-O-[(R,S)-N-(2-dodecylamino)(propylamino)propan-2-ol]-1,2:3,4-di-O-isopropylidene-α-D-galactopyranose

Conditions
ConditionsYield
With ammonium chloride In ethanol for 24h; Reflux;44%
5538-95-4

N-(1-dodecyl)-1,3-propanediamine

102940-92-1

7-chlorobenzacridine

116726-87-5

N-benz[c]acridin-7-yl-N'-dodecyl-propanediyldiamine

Conditions
ConditionsYield
With phenol at 140℃;
5538-95-4

N-(1-dodecyl)-1,3-propanediamine

59766-90-4

N-Cyclohexyl-N'-dodecyl-1,3-propanediamine

5538-95-4

N-(1-dodecyl)-1,3-propanediamine

141-97-9

ethyl acetoacetate

1-dodecyl-4-methyl-3,6,7,8-tetrahydro-1,5-diazocin-2-one

1,3-Propanediamine,N1-dodecyl- Specification

The 1,3-Propanediamine,N1-dodecyl- is an organic compound with the formula C15H34N2. The IUPAC name of this chemical is N'-dodecylpropane-1,3-diamine. With the CAS registry number 5538-95-4, it is also named as N-(3-Aminopropyl)dodecylamine.

Physical properties about 1,3-Propanediamine,N1-dodecyl- are: (1)ACD/LogP: 5.06; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.96; (4)ACD/LogD (pH 7.4): 1.15; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.07; (8)ACD/KOC (pH 7.4): 1.68; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 78.67 cm3; (15)Molar Volume: 288.6 cm3; (16)Polarizability: 31.18×10-24cm3; (17)Surface Tension: 31.8 dyne/cm; (18)Density: 0.839 g/cm3; (19)Flash Point: 176.7 °C; (20)Enthalpy of Vaporization: 56.82 kJ/mol; (21)Boiling Point: 326 °C at 760 mmHg; (22)Vapour Pressure: 0.000222 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: NCCCNCCCCCCCCCCCC
(2)InChI: InChI=1/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3
(3)InChIKey: XMMDVXFQGOEOKH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3
(5)Std. InChIKey: XMMDVXFQGOEOKH-UHFFFAOYSA-N

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