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15875-13-5

Basic Information
CAS No.: 15875-13-5
Name: 1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine
Article Data: 7
Molecular Structure:
Molecular Structure of 15875-13-5 (1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine)
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: CorrosiveC
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
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;
56536-32-4

3-(N,N-Dimethylamino)propylformaldimin

15875-13-5

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

Conditions
ConditionsYield
formaldehyd
Raw Materials
50-00-0
109-55-7
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    Product Name: 1,3,5-Tris[3-(dimethylamino)propyl]hexahydro-1,3,5-triazine Molecular Formula: C18H42N6 Molecular Weight: 342.57 CAS RN: 15875-13-5 Overseas Product Code: Toyocat TRC; PC CAT NP40; Jeffcat TR-90 Properties:at normal temperature

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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.