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| CAS No.: | 1948-48-7 |
|---|---|
| Name: | 3-AMINOPENTANEDIOIC ACID |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C5H9NO4 |
| Molecular Weight: | 147.131 |
| Synonyms: | BETA-GLUTAMIC ACID;3-AMINOPENTANEDIOIC ACID;B-glutamic acid;3-aminoglutaric acid;3-azanylpentanedioic acid;Pentanedioic acid,3-aMino- |
| Density: | 1.409 g/cm3 |
| Melting Point: | 233 °C (decomp) |
| Boiling Point: | 329.8 °C at 760 mmHg |
| Flash Point: | 153.3 °C |
| PSA: | 100.62000 |
| LogP: | -0.03660 |
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- 211914-50-0N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester hydrochloride
- 240444-70-62,3,5,6-Tetrafluor-4-(methoxymethyl)benzyl-2,2-dimethyl-3-(prop-1-en-1-yl)cyclopropancarboxylat
| Conditions | Yield |
|---|---|
| With ammonia Heating; | 60% |
- 1948-48-7
3-aminopentanedioic acid
| Conditions | Yield |
|---|---|
| at 170℃; for 2h; Inert atmosphere; | 32% |
- 51865-85-1
1,3-diethyl 2-aminoglutarate
- 1948-48-7
3-aminopentanedioic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride | |
| With barium dihydroxide | |
| Multi-step reaction with 2 steps 2: aq. Ba(OH)2 View Scheme |
- 92788-40-4
β-Acetamino-glutarsaeure-diaethylester
- 1948-48-7
3-aminopentanedioic acid
| Conditions | Yield |
|---|---|
| With barium dihydroxide |
- 120341-34-6
(2,6-Dioxo-tetrahydro-pyran-4-yl)-carbamic acid tert-butyl ester
- 1948-48-7
3-aminopentanedioic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride 1) 130 deg C, 1 h, 2) 110 deg C; Yield given. Multistep reaction; |
- 73178-43-5
(E)-diethyl glutaconate
- 1948-48-7
3-aminopentanedioic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: ethanol; NH3 2: aqueous HCl View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: ethanol / anschliessendes Behandeln mit amalgamiertem Aluminium und wenig H2O 2: Ba(OH)2 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: NH3 3: aq. Ba(OH)2 View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: ammonium hydroxide / water / 0 °C 2: 2 h / 170 °C / Inert atmosphere View Scheme |
- 112545-50-3, 74819-83-3
ethyl (+/-)-(4-oxoazetidin-2-yl)acetate
A
- 1948-48-7
3-aminopentanedioic acid
B
- 77960-43-1
2-(4-oxoazetidin-2-yl)acetic acid
| Conditions | Yield |
|---|---|
| With Candida antarctica Lipase A In aq. phosphate buffer at 25℃; for 1h; pH=7.5; Catalytic behavior; Reagent/catalyst; Time; Enzymatic reaction; | A 60 %Spectr. B 40 %Spectr. |
- Total:31 Page 1 of 1 1
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Specification
The Pentanedioic acid,3-amino-, with the CAS registry number 1948-48-7, is also known as 3-Aminoglutaric acid. This chemical's molecular formula is C5H9NO4 and molecular weight is 147.13. What's more, its systematic name and its IUPAC name are the same which is called 3-Aminopentanedioic acid.
Physical properties about Pentanedioic acid,3-amino-: (1)ACD/LogP: -1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.84; (4)ACD/LogD (pH 7.4): -4.98; (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: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 31.83 cm3; (15)Molar Volume: 104.3 cm3; (16)Polarizability: 12.62×10-24cm3; (17)Surface Tension: 69.2 dyne/cm; (18)Density: 1.409 g/cm3; (19)Flash Point: 153.3 °C; (20)Enthalpy of Vaporization: 62.91 kJ/mol; (21)Boiling Point: 329.8 °C at 760 mmHg; (22)Vapour Pressure: 3.4E-05 mmHg at 25 °C.
Preparation of Pentanedioic acid,3-amino-: this chemical can be prepared by Pentenedioic acid. The reaction occurs with reagent NH3 and other condition of heating. The yield is 60 %.
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Uses of Pentanedioic acid,3-amino-: it is used to produce other chemicals. For example, it is used to produce N-Benzyloxycarbonyl 3-amino-glutaric acid. This reaction needs reagent NaOH. The yield is 73 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CC(N)CC(=O)O
(2) InChI: InChI=1/C5H9NO4/c6-3(1-4(7)8)2-5(9)10/h3H,1-2,6H2,(H,7,8)(H,9,10)
(3) InChIKey: BBJIPMIXTXKYLZ-UHFFFAOYAG