CAS No.15875-13-5,1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15875-13-5
Name:	1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine
Article Data:	7

Formula:	C₁₈H₄₂N₆
Molecular Weight:	342.572
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;
EINECS:	240-004-1
Density:	0.944 g/cm³
Melting Point:	268-271 °C
Boiling Point:	413.2 °C at 760 mmHg
Flash Point:	170.1 °C
Solubility:	590g/L at 25℃
Appearance:	straw yellow to colorless transparent liquid
Hazard Symbols:	C
Risk Codes:	21-34
Safety:	26-27-36/37/39-45
Transport Information:	UN 2735
PSA:	19.44000
LogP:	0.44730

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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
formaldehyd

Raw Materials

50-00-0

109-55-7

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Consensus Reports

Reported in EPA TSCA Inventory.

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.