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| CAS No.: | 6928-85-4 |
|---|---|
| Name: | 1-Amino-4-methylpiperazine |
| Article Data: | 22 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H13N3 |
| Molecular Weight: | 115.178 |
| Synonyms: | Piperazine,1-amino-4-methyl- (6CI,7CI,8CI);(4-Methylpiperazin-1-yl)amine;1-Methyl-4-aminopiperazine;4-Methyl-1-aminopiperazine;N-Amino-N'-methylpiperazine;N1-Methyl-N4-aminopiperazine;NSC 80649;1-Piperazinamine,4-methyl-; |
| EINECS: | 230-053-7 |
| Density: | 0.991 g/cm3 |
| Boiling Point: | 172.811 °C at 760 mmHg |
| Flash Point: | 58.128 °C |
| Solubility: | miscible with water |
| Appearance: | clear colorless to light yellow liquid |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 24/25-36-26 |
| PSA: | 32.50000 |
| LogP: | -0.31640 |
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- 16339-07-4
1-methyl-4-nitroso-piperazine
A
- 109-01-3
1-methyl-piperazine
B
- 6928-85-4
N-amino-N'-methylpiperazine
| Conditions | Yield |
|---|---|
| With carbon dioxide; water; ammonium chloride; zinc at 35℃; under 1500.15 Torr; for 1.5h; Reagent/catalyst; Temperature; Pressure; Autoclave; Green chemistry; | A n/a B 96% |
| With hydrogen In water at 50℃; under 37503.8 Torr; for 5h; Autoclave; Green chemistry; | A n/a B 38% |
- 16339-07-4
1-methyl-4-nitroso-piperazine
- 6928-85-4
N-amino-N'-methylpiperazine
| Conditions | Yield |
|---|---|
| With hydrogen In dichloromethane; water at 50℃; under 37503.8 Torr; for 5h; Solvent; Autoclave; Green chemistry; | 94% |
| With lithium aluminium tetrahydride In diethyl ether for 10h; Heating; | 88% |
| With acetic acid; zinc In water Cooling with ice; | 78% |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate | 87% |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate at 50℃; for 2h; | A 2% B 87% |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 96 percent / SOCl2 / CHCl3 / 2 h / 20 °C 2: 87 percent / aq. NH2NH2 View Scheme |
- 118306-22-2
4-chlorocarbonyl-4,9-dihydro-1-methyl-10H-thieno[3,4-b][1,5]benzodiazepin-10-one
A
- 6928-85-4
N-amino-N'-methylpiperazine
- 118306-21-1
4-(chlorocarbonyl)-4,9-dihydro-3-methyl-10H-thieno[3,4-b][1,5]benzodiazepin-10-one
A
- 6928-85-4
N-amino-N'-methylpiperazine
- 118306-23-3
4-(chlorocarbonyl)-4,9-dihydro-1,3-dimethyl-10H-thieno[3,4-b][1,5]benzodiazepin-10-one
A
- 6928-85-4
N-amino-N'-methylpiperazine
- 118306-24-4
3-chloro-4-(chlorocarbonyl)-4,9-dihydro-10H-thieno[3,4-b][1,5]benzodiazepin-10-one
A
- 6928-85-4
N-amino-N'-methylpiperazine
- 21223-19-8
CH3N(CH2CH2)2NNH2*BH3
- 7732-18-5
water
A
- 6928-85-4
N-amino-N'-methylpiperazine
B
- 1333-74-0
hydrogen
C
- 11113-50-1
boric acid
| Conditions | Yield |
|---|---|
| In water | |
| In water |
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Specification
1. Introduction of 1-Amino-4-methylpiperazine
The 1-Amino-4-methylpiperazine, with the CAS registry number 6928-85-4, is also known as 1-Piperazinamine, 4-methyl-. It belongs to the product categories of Piperaizine; Piperazine Derivates; Building Blocks; Heterocyclic Building Blocks; Piperazines. This chemical's molecular formula is C5H13N3 and molecular weight is 115.18. What's more, its systematic name is called 4-Methyl-1-piperazinamine. It should be stored in a cool, dry and well-ventilated place.
2. Properties of 1-Amino-4-methylpiperazine
Physical properties about 1-Amino-4-methylpiperazine are: (1)ACD/LogP: -1.301; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.36; (4)ACD/LogD (pH 7.4): -3.43; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.5 Å2; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 33.841 cm3; (15)Molar Volume: 116.143 cm3; (16)Polarizability: 13.416×10-24 cm3; (17)Surface Tension: 35.26 dyne/cm; (18)Density: 0.992 g/cm3; (19)Flash Point: 58.128 °C; (20)Enthalpy of Vaporization: 40.918 kJ/mol; (21)Boiling Point: 172.811 °C at 760 mmHg; (22)Vapour Pressure: 1.31 mmHg at 25 °C
3. Structure Descriptors of 1-Amino-4-methylpiperazine
You can still convert the following datas into molecular structure:
(1) SMILES: NN1CCN(C)CC1
(2) InChI: InChI=1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3
(3) InChIKey: RJWLLQWLBMJCFD-UHFFFAOYSA-N
4. Safety Information of 1-Amino-4-methylpiperazine
Hazard Statement(s) H315: Causes skin irritation.
H319: Causes serious eye irritation.
H335: May cause respiratory irritation.
Precautionary Statement(s) P302 + P352: IF ON SKIN: Wash with plenty of soap and water.
P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
5. Preparation of 1-Amino-4-methylpiperazine
1-Amino-4-methylpiperazine can be prepared by 1-methyl-4-nitroso-piperazine. The reaction occurs with reagent LiAlH4 and other condition of heating for 10 hours. The yield is 88 %.
6. Uses of 1-Amino-4-methylpiperazine
1-Amino-4-methylpiperazine is used as an intermediate of pharmaceutical and for synthesis of antibiotics of rifampicin; (2) it is used to produce other chemicals. For example, it can react with furan-2-carbonyl chloride to get furan-2-carboxylic acid (4-methyl-piperazin-1-yl)-amide. The reaction occurs with solvent benzene and other condition of heating for 1 hour. The yield is 88 %.
7. Other details of 1-Amino-4-methylpiperazine
When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system. It may cause damage to health by inhalation, in contacting with skin and if swallowed. Therefore, you should wear suitable protective clothing and avoid contacting with skin, eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.