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1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine
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Name

1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine

 EINECS 240-004-1
CAS No. 15875-13-5 Density 0.944 g/cm3
PSA 19.44000 LogP 0.44730
Solubility 590g/L at 25℃ Melting Point 268-271 °C
Formula C18H42N6 Boiling Point 413.2 °C at 760 mmHg
Molecular Weight 342.572 Flash Point 170.1 °C
Transport Information UN 2735 Appearance straw yellow to colorless transparent liquid
Safety 26-27-36/37/39-45 Risk Codes 21-34
Molecular Structure Molecular Structure of 15875-13-5 (1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine) Hazard Symbols CorrosiveC
Synonyms

N,N',N''-Tris(3-dimethylaminopropyl)hexahydro-s-triazine;N,N',N''-Tris(dimethylaminopropyl)-sym-hexahydrotriazine;NSC 28833;1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanamine,N1,N1,N3,N3,N5,N5-hexamethyl-;R 141;Toyocat TRC;Tris(dimethylaminopropyl)-s-hexahydrotriazine;1,3,5-Tri(3-dimethylaminopropyl)hexahydro-1,3,5-triazine;1,3,5-Tris(N,N-dimethyl-3-aminopropyl)-s-hexahydrotriazine;1,3,5-Tris[3-(dimethylamino)propyl]-s-hexahydrotriazine;2,4,6-Tris[(3-dimethylamino)propyl]hexahydrotriazine;Desmorapid;Jeffcat TR90;Kaolizer 14;Lupragen N 600;

Article Data 7

1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine Synthetic route

50-00-0

formaldehyd

109-55-7

1-amino-3-(dimethylamino)propane

15875-13-5

1,3,5-tris(N,N-dimethylaminopropyl)-hexahydro-s-triazine

Conditions
ConditionsYield
In toluene for 1.5h; Reflux; Dean-Stark;66%
In iso-paraffin at 82.2122 - 93.3233℃; for 14 - 16h; Heating / reflux;
In toluene at 110℃; for 20h; Schlenk technique;
50-00-0

formaldehyd

109-55-7

1-amino-3-(dimethylamino)propane

108-95-2

phenol

A

15875-13-5

1,3,5-tris(N,N-dimethylaminopropyl)-hexahydro-s-triazine

B

225795-36-8

[(3-dimethylamino-propylamino)-methyl]-phenol

C

2,6-bis-[(3-dimethylamino-propylamino)-methyl]-phenol

D

2,4-bis-[(3-dimethylamino-propylamino)-methyl]-phenol

E

2-[(3-Dimethylamino-propylamino)-methyl]-6-{[(3-dimethylamino-propyl)-(2-hydroxy-benzyl)-amino]-methyl}-phenol

F

2,4,6-tris (((3- (dimethylamino) propyl) amino) methyl) phenol

Conditions
ConditionsYield
In water Product distribution;
...Expand
56536-32-4

3-(N,N-Dimethylamino)propylformaldimin

15875-13-5

1,3,5-tris(N,N-dimethylaminopropyl)-hexahydro-s-triazine

Conditions
ConditionsYield
formaldehyd

1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine Consensus Reports

Reported in EPA TSCA Inventory.

1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine Specification

The 1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine, with the CAS registry number 15875-13-5, is also known as 2,4,6-Tris[(3-dimethylamino)propyl]hexahydrotriazine. It belongs to the product category of Organics. Its EINECS number is 240-004-1. This chemical's molecular formula is C18H42N6 and molecular weight is 342.57. What's more, its systematic name is 3,3',3''-(1,3,5-triazinane-1,3,5-triyl)tris(N,N-dimethylpropan-1-amine).

Physical properties of 1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.01; (4)ACD/LogD (pH 7.4): -3.79; (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; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 19.44 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 105.37 cm3; (15)Molar Volume: 362.6 cm3; (16)Polarizability: 41.77×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.944 g/cm3; (19)Flash Point: 170.1 °C; (20)Enthalpy of Vaporization: 66.6 kJ/mol; (21)Boiling Point: 413.2 °C at 760 mmHg; (22)Vapour Pressure: 4.88E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful in contact with skin. It can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1S/C18H42N6/c1-19(2)10-7-13-22-16-23(14-8-11-20(3)4)18-24(17-22)15-9-12-21(5)6/h7-18H2,1-6H3
(2)InChIKey: FZQMJOOSLXFQSU-UHFFFAOYSA-N
(3)Canonical SMILES: CN(C)CCCN1CN(CN(C1)CCCN(C)C)CCCN(C)C

The toxicity data is as follows: 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2020uL/kg (2.02mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 oral 3250uL/kg (3.25mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

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