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143-23-7

Basic Information
CAS No.: 143-23-7
Name: BIS(HEXAMETHYLENE)TRIAMINE
Article Data: 7
Molecular Structure:
Molecular Structure of 143-23-7 (BIS(HEXAMETHYLENE)TRIAMINE)
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: CorrosiveC
Risk Codes: 22-34
Safety: 26-36/37/39-45
PSA: 64.07000
LogP: 3.40570
Synthetic route
652130-77-3

8-(2-(trimethylsilyl)ethanesulfonyl)-1,8,15-triazapentadecane

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
With cesium fluoride In N,N-dimethyl-formamide at 100℃;46%
500309-42-2

N1,N13-diacetyl-1,13-diamino-7-azatridecane

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
With hydrogenchloride for 2h; Heating; Yield given;
124-09-4

1,6-Hexanediamine

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
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
49631-88-1

mono-N-acetylhexamethylenediamine

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: Raney Ni / benzene / 7 h / Heating
2: 2N HCl / 2 h / Heating
View Scheme
4048-33-3

6-amino-1-hexanol

A

111-49-9

hexamethylene imine

B

124-09-4

1,6-Hexanediamine

C

21920-79-6

6-(azepan-1-yl)hexan-1-amine

D

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
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
4048-33-3

6-amino-1-hexanol

A

124-09-4

1,6-Hexanediamine

B

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
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
4048-33-3

6-amino-1-hexanol

A

111-49-9

hexamethylene imine

B

21920-79-6

6-(azepan-1-yl)hexan-1-amine

C

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
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
4048-33-3

6-amino-1-hexanol

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
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
4048-33-3

6-amino-1-hexanol

A

21920-79-6

6-(azepan-1-yl)hexan-1-amine

B

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
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
124-09-4

1,6-Hexanediamine

A

111-49-9

hexamethylene imine

B

21920-79-6

6-(azepan-1-yl)hexan-1-amine

C

143-23-7

1,8,15-triazapentadecane

Conditions
ConditionsYield
With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 6h;
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111-49-9
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Specification

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,