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Cas Database |
| Name |
delta-1-Pyrroline-5-carboxylate |
EINECS | N/A |
| CAS No. | 2906-39-0 | Density | 1.35 g/cm3 |
| PSA | 49.66000 | LogP | -0.26020 |
| Solubility | N/A | Melting Point |
140-142 °C (decomp)(Solv: water (7732-18-5)) |
| Formula | C5H7NO2 | Boiling Point | 304.1 °C at 760 mmHg |
| Molecular Weight | 113.116 | Flash Point | 137.7 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Pyrroline-5-carboxylicacid (6CI,7CI,8CI);DL-1-Pyrroline-5-carboxylic acid;D1-Pyrroline-5-carboxylic acid;delta-1-Pyrroline-5-carboxylate; |
Article Data | 5 |
delta-1-Pyrroline-5-carboxylate Synthetic route
- 41419-12-9
3,3-dichloro-piperidin-2-one
- 2906-39-0
Δ1-pyrroline-5-carboxylate
| Conditions | Yield |
|---|---|
| With barium dihydroxide |
- 53908-65-9
4-acetamido-4,4-bis(ethyloxycarbonyl)butyraldehyde
- 2906-39-0
Δ1-pyrroline-5-carboxylate
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
| Conditions | Yield |
|---|---|
| With 2,3-dimethoxy-5-methyl-6-(3-methyl-2-butenyl)-1,4-benzoquinone; proline dehydrogenase R1 from Deinococcus radiodurans In aq. phosphate buffer at 23℃; pH=7.5; Kinetics; Concentration; Reagent/catalyst; Enzymatic reaction; |
- 504-91-6, 1190-94-9, 3506-26-1, 6000-08-4, 18899-29-1, 18899-30-4, 18899-31-5, 52153-41-0, 78088-29-6
D-glycero-D-guloheptonic acid
- 2906-39-0
Δ1-pyrroline-5-carboxylate
| Conditions | Yield |
|---|---|
| With periodate |
- 2906-39-0
Δ1-pyrroline-5-carboxylate
- 64-17-5
ethanol
- 529-23-7
2-aminobenzaldehyde
- 108483-19-8
1-carboxy-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-b]quinazolinylium betaine
- 2906-39-0
Δ1-pyrroline-5-carboxylate
- 153790-69-3
(2S,4R)-<4-2H1>-proline
| Conditions | Yield |
|---|---|
| With (4S-2H)-NADH; NosF gene from Escherichia colie; 2-amino-2-hydroxymethyl-1,3-propanediol In water at 42℃; |
| Conditions | Yield |
|---|---|
| With (4R-2H)-NADH; NosF gene from Escherichia colie; 2-amino-2-hydroxymethyl-1,3-propanediol In water at 42℃; | |
| With 1,4-dihydronicotinamide adenine dinucleotide; NosF gene from Escherichia coli; 2-amino-2-hydroxymethyl-1,3-propanediol In water at 42℃; pH=8; Enzyme kinetics; |
delta-1-Pyrroline-5-carboxylate Specification
The IUPAC name of delta-1-Pyrroline-5-carboxylate is 3,4-dihydro-2H-pyrrole-2-carboxylic acid. With the CAS registry number 2906-39-0, it is also named as Pyrroline-5-carboxylate. In addition, its molecular formula is C5H7NO2 and molecular weight is 113.1146.
The other characteristics of delta-1-Pyrroline-5-carboxylate can be summarized as: (1)ACD/LogP: -1.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.17; (4)ACD/LogD (pH 7.4): -4.34; (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: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.66 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 27.79 cm3; (15)Molar Volume: 83.4 cm3; (16)Polarizability: 11.01×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Density: 1.35 g/cm3; (19)Flash Point: 137.7 °C; (20)Enthalpy of Vaporization: 59.88 kJ/mol; (21)Boiling Point: 304.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000206 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C1/N=C\CC1
(2)InChI: InChI=1/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
(3)InChIKey: DWAKNKKXGALPNW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
(5)Std. InChIKey: DWAKNKKXGALPNW-UHFFFAOYSA-N
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