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| CAS No.: | 3312-60-5 |
|---|---|
| Name: | N-(3-AMINOPROPYL)CYCLOHEXYLAMINE |
| Article Data: | 10 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H20N2 |
| Molecular Weight: | 156.271 |
| Synonyms: | 1,3-Propanediamine,N-cyclohexyl- (6CI,7CI,8CI,9CI);(Cyclohexylamino)propylamine;1-(Cyclohexylamino)-3-aminopropane;3-(Cyclohexylamino)-1-propylamine;3-Amino-1-(cyclohexylamino)propane;Laromin C252;N-(3-Aminopropyl)-N-cyclohexylamine;N-(3-Aminopropyl)cyclohexanamine;N-Cyclohexyl-1,3-diaminopropane;N-Cyclohexyl-1,3-propanediamine;N-Cyclohexyl-1,3-propylenediamine;N-Cyclohexyltrimethylenediamine;NSC 87572;Polycat 352; |
| EINECS: | 222-001-7 |
| Density: | 0.914 g/cm3 |
| Melting Point: | -17--15 °C(lit.) |
| Boiling Point: | 238.735 °C at 760 mmHg |
| Flash Point: | 112.298 °C |
| Solubility: | 5000g/L at 20℃ |
| Appearance: | Pale yellow clear liquid |
| Hazard Symbols: |
 Xi,  C
|
| Risk Codes: | 34 |
| Safety: | 26-27-28-36/37/39-45 |
| Transport Information: | UN 2735 8/PG 2 |
| PSA: | 38.05000 |
| LogP: | 2.34870 |
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 198712-51-5
N-cyclohexyl-1,3-propanediamino-N,N'-bis(trimethylmethanesulfonamide)
- 3312-60-5
N-(3-aminopropyl)cyclohexylamine
| Conditions | Yield |
|---|---|
| With trifluorormethanesulfonic acid; methoxybenzene In dichloromethane at 20℃; for 2.5h; desulfonation; | 67% |
| Conditions | Yield |
|---|---|
| With ammonia; nickel at 120℃; under 128714 Torr; Hydrogenation; | |
| With lithium aluminium tetrahydride | |
| With hydrogen; nickel In methanol | |
| With lithium aluminium tetrahydride In diethyl ether at 0℃; |
- 702-03-4
3-cyclohexylaminopropionitrile
A
- 80638-40-0
bis-(N-cyclohexyl-3-aminopropyl)amine
B
- 3312-60-5
N-(3-aminopropyl)cyclohexylamine
| Conditions | Yield |
|---|---|
| With nickel Hydrogenation; |
| Conditions | Yield |
|---|---|
| With hydrogen; nickel In methanol |
| Conditions | Yield |
|---|---|
| (i) EtOH, (ii) LiAlH4; Multistep reaction; |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: ethyl methyl ether / 78 °C 2: LiAlH4 / diethyl ether / 0 °C View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: Raney nickel; ethanolic ammonia / 120 °C / 128714 Torr / Hydrogenation View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: ethanol 2: H2 / Raney-Ni / methanol View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 2: LiAlH4 View Scheme |
- 1829-34-1
2-hydroxy-3-bromobenzaldehyde
- 3312-60-5
N-(3-aminopropyl)cyclohexylamine
- 1451054-32-2
2-bromo-6-[(3-cyclohexylaminopropylimino)methyl]phenol
| Conditions | Yield |
|---|---|
| In methanol at 20℃; for 1h; | 100% |
| In methanol at 20℃; | 91% |
| for 1h; Reflux; | 83% |
| In ethanol for 1h; Reflux; | 80% |
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Specification
The 1,3-Propanediamine,N1-cyclohexyl-, with the CAS registry number 3312-60-5, is also known as 3-(Cyclohexylamino)propylamine. It belongs to the product categories of Nitrogen Compounds; Organic Building Blocks; Polyamines. Its EINECS registry number is 222-001-7. This chemical's molecular formula is C9H20N2 and molecular weight is 156.27. What's more, its IUPAC name and systematic name are the same which is called N-Cyclohexylpropane-1,3-diamine. Additionally, it should be preserved hermetically and put in a cool, dry place. It is pale yellow clear liquid.
Physical properties about 1,3-Propanediamine,N1-cyclohexyl-: (1)ACD/LogP: 1.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.83; (4)ACD/LogD (pH 7.4): -2.67; (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: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 6.48 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 48.92 cm3; (15)Molar Volume: 170.9 cm3; (16)Surface Tension: 35.3 dyne/cm; (17)Density: 0.91 g/cm3; (18)Flash Point: 112.3 °C; (19)Enthalpy of Vaporization: 47.56 kJ/mol; (20)Boiling Point: 238.7 °C at 760 mmHg; (21)Vapour Pressure: 0.0417 mmHg at 25 °C; (22)Melting point: -17--15 °C.
Preparation of 1,3-Propanediamine,N1-cyclohexyl-: It can be obtained by 2-Methyl-propane-2-sulfonic acid cyclohexyl-[3-(2-methyl-propane-2-sulfonylamino)-propyl]-amide. The reaction occurs with reagents Anisole and Trifluoromethanesulfonic acid at temperature of 20 °C for 2.5 hours. The yield is 67 %.
![1,3-Propanediamine,N1-cyclohexyl- can be obtained by 2-Methyl-propane-2-sulfonic acid cyclohexyl-[3-(2-methyl-propane-2-sulfonylamino)-propyl]-amide](/UserFilesUpload/Preparation of 1,3-Propanediamine,N1-cyclohexyl-.png)
Uses of 1,3-Propanediamine,N1-cyclohexyl-: it is used to produce other chemicals. For example, it can react with Formaldehyde to get 1-Cyclohexylhexahydropyrimidine. The reaction occurs with reagent H2O at ambient temperature for 1 hour. The yield is 56.7 %.
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes and may destroy living tissue on contacting. What’s more, it may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes or skin, you should take off immediately all contaminated clothing and rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: N(CCCN)C1CCCCC1
(2) InChI: InChI=1/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2
(3) InChIKey: ITZPOSYADVYECJ-UHFFFAOYAP