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N-(3-Aminopropyl)cyclohexylamine

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Name

N-(3-Aminopropyl)cyclohexylamine

EINECS 222-001-7
CAS No. 3312-60-5 Density 0.914 g/cm3
PSA 38.05000 LogP 2.34870
Solubility 5000g/L at 20℃ Melting Point -17--15 °C(lit.)
Formula C9H20N2 Boiling Point 238.735 °C at 760 mmHg
Molecular Weight 156.271 Flash Point 112.298 °C
Transport Information UN 2735 8/PG 2 Appearance Pale yellow clear liquid
Safety 26-27-28-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 3312-60-5 (N-(3-AMINOPROPYL)CYCLOHEXYLAMINE) Hazard Symbols IrritantXi, CorrosiveC
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;

Article Data 10

N-(3-Aminopropyl)cyclohexylamine Synthetic route

198712-51-5

N-cyclohexyl-1,3-propanediamino-N,N'-bis(trimethylmethanesulfonamide)

3312-60-5

N-(3-aminopropyl)cyclohexylamine

Conditions
ConditionsYield
With trifluorormethanesulfonic acid; methoxybenzene In dichloromethane at 20℃; for 2.5h; desulfonation;67%
702-03-4

3-cyclohexylaminopropionitrile

3312-60-5

N-(3-aminopropyl)cyclohexylamine

Conditions
ConditionsYield
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
ConditionsYield
With nickel Hydrogenation;
3956-37-4

1-Cyclohexyl-1-(β-cyanethyl)-hydrazin

3312-60-5

N-(3-aminopropyl)cyclohexylamine

Conditions
ConditionsYield
With hydrogen; nickel In methanol
108-91-8

cyclohexylamine

107-13-1

acrylonitrile

3312-60-5

N-(3-aminopropyl)cyclohexylamine

Conditions
ConditionsYield
(i) EtOH, (ii) LiAlH4; Multistep reaction;
108-91-8

cyclohexylamine

Co2(CO)8

Co2(CO)8

3312-60-5

N-(3-aminopropyl)cyclohexylamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ethyl methyl ether / 78 °C
2: LiAlH4 / diethyl ether / 0 °C
View Scheme
108-91-8

cyclohexylamine

3312-60-5

N-(3-aminopropyl)cyclohexylamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
2: Raney nickel; ethanolic ammonia / 120 °C / 128714 Torr / Hydrogenation
View Scheme
6498-34-6

cyclohexylhydrazine

3312-60-5

N-(3-aminopropyl)cyclohexylamine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: ethanol
2: H2 / Raney-Ni / methanol
View Scheme
108-91-8

cyclohexylamine

sodium chloro sulfate

sodium chloro sulfate

3312-60-5

N-(3-aminopropyl)cyclohexylamine

Conditions
ConditionsYield
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
ConditionsYield
In methanol at 20℃; for 1h;100%
In methanol at 20℃;91%
for 1h; Reflux;83%
In ethanol for 1h; Reflux;80%

N-(3-Aminopropyl)cyclohexylamine 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

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 %.

1,3-Propanediamine,N1-cyclohexyl- can react with Formaldehyde to get 1-Cyclohexylhexahydropyrimidine

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

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