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CAS No.: | 143-23-7 |
---|---|
Name: | BIS(HEXAMETHYLENE)TRIAMINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C12H29N3 |
Molecular Weight: | 215.382 |
Synonyms: | 1,6-Hexanediamine,N-(6-aminohexyl)- (9CI);Dihexylamine, 6,6'-diamino- (6CI,7CI,8CI);1,13-Diamino-7-azatridecane;7-Aza-1,13-tridecanediamine;BHMT-HP;Bis(6-aminohexamethyl)amine;Bis(6-aminohexyl)amine;Bis(aminohexyl)amine;Bis(hexamethylene)triamine;Dihexylenetriamine;Dytek BHMT-HP;N-(6-Aminohexyl)-1,6-hexanediamine;NSC 92231; |
EINECS: | 143-23-7 |
Density: | 0.887 g/cm3 |
Melting Point: | 33-36 °C(lit.) |
Boiling Point: | 332.8 °C at 760 mmHg |
Flash Point: | 175.2 °C |
Solubility: | 437g/L at 20℃ |
Appearance: | white solid. |
Hazard Symbols: | C |
Risk Codes: | 22-34 |
Safety: | 26-36/37/39-45 |
PSA: | 64.07000 |
LogP: | 3.40570 |
8-(2-(trimethylsilyl)ethanesulfonyl)-1,8,15-triazapentadecane
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With cesium fluoride In N,N-dimethyl-formamide at 100℃; | 46% |
N1,N13-diacetyl-1,13-diamino-7-azatridecane
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With hydrogenchloride for 2h; Heating; Yield given; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 78 percent / 24 h / 100 °C 2: Raney Ni / benzene / 7 h / Heating 3: 2N HCl / 2 h / Heating View Scheme | |
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
mono-N-acetylhexamethylenediamine
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: Raney Ni / benzene / 7 h / Heating 2: 2N HCl / 2 h / Heating View Scheme |
6-amino-1-hexanol
A
hexamethylene imine
B
1,6-Hexanediamine
C
6-(azepan-1-yl)hexan-1-amine
D
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 6h; | A 33 %Chromat. B 20.7 %Chromat. C n/a D n/a |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
6-amino-1-hexanol
A
hexamethylene imine
B
6-(azepan-1-yl)hexan-1-amine
C
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 2: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr 3: hydrogen; ammonia; / tert-butyl alcohol / 6 h / 220 °C / 120012 Torr View Scheme |
1,6-Hexanediamine
A
hexamethylene imine
B
6-(azepan-1-yl)hexan-1-amine
C
1,8,15-triazapentadecane
Conditions | Yield |
---|---|
With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 6h; |
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The Bis(hexamethylene)triamine is an organic compound with the formula C12H29N3. The systematic name of this chemical is N-(6-aminohexyl)hexane-1,6-diamine. With the CAS registry number 143-23-7, it is also named as 1,6-Hexanediamine, N- (6-aminohexyl)-.
Physical properties about Bis(hexamethylene)triamine are: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.12; (4)ACD/LogD (pH 7.4): -4.11; (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: 3; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 9.72 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 68.3 cm3; (15)Molar Volume: 242.7 cm3; (16)Polarizability: 27.07×10-24cm3; (17)Surface Tension: 36.2 dyne/cm; (18)Density: 0.887 g/cm3; (19)Flash Point: 175.2 °C; (20)Enthalpy of Vaporization: 57.56 kJ/mol; (21)Boiling Point: 332.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000143 mmHg at 25°C.
Uses of Bis(hexamethylene)triamine: it can be used to produce N-trityl-N'-[6-(trityl-amino)-hexyl]-hexane-1,6-diamine. It will need reagent Et3N and solvent CHCl3. The yield is about 75%.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: NCCCCCCNCCCCCCN
(2)InChI: InChI=1/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
(3)InChIKey: MRNZSTMRDWRNNR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C12H29N3/c13-9-5-1-3-7-11-15-12-8-4-2-6-10-14/h15H,1-14H2
(5)Std. InChIKey: MRNZSTMRDWRNNR-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rabbit | LDLo | skin | 200mg/kg (200mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI LIVER: OTHER CHANGES | National Technical Information Service. Vol. OTS0534833, |
rat | LD50 | oral | 450mg/kg (450mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI GASTROINTESTINAL: OTHER CHANGES | National Technical Information Service. Vol. OTS0534833, |