Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Cbz-2,5-dihydro-1H-pyrrole |
EINECS | N/A |
CAS No. | 31970-04-4 | Density | 1.186 g/cm3 |
PSA | 29.54000 | LogP | 2.13290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C12H13NO2 | Boiling Point | 317.84 °C at 760 mmHg |
Molecular Weight | 203.241 | Flash Point | 146.025 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Pyrroline-1-carboxylicacid, benzyl ester (8CI);1-Benzyloxycarbonyl-3-pyrroline;2,5-Dihydro-1H-pyrrole-1-carboxylicacid benzyl ester;2,5-Dihydro-1H-pyrrole-1-carboxylic acid phenylmethyl ester;2,5-Dihydropyrrole-1-carboxylic acid benzyl ester;2H,5H-Pyrrole-1-carboxylicacid benzyl ester;Benzyl 3-pyrroline-1-carboxylate;N-(Benzyloxycarbonyl)-3-pyrroline; |
Article Data | 43 |
The cas register number of 1-Cbz-2,5-dihydro-1H-pyrrole is 31970-04-4. It also can be called as 2,5-Dihydropyrrole-1-carboxylic acid benzyl ester and the IUPAC Name about this chemical is benzyl 2,5-dihydropyrrole-1-carboxylate. It belongs to the following product categories, such as Building Blocks, Heterocyclic Building Blocks, Pyrrolines and so on.
Physical properties about 1-Cbz-2,5-dihydro-1H-pyrrole are: (1)ACD/LogP: 2.49; (2)ACD/LogD (pH 5.5): 2.493; (3)ACD/LogD (pH 7.4): 2.493; (4)ACD/BCF (pH 5.5): 46.234; (5)ACD/BCF (pH 7.4): 46.234; (6)ACD/KOC (pH 5.5): 541.243; (7)ACD/KOC (pH 7.4): 541.243; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 57.055 cm3; (13)Molar Volume: 171.386 cm3; (14)Polarizability: 22.618x10-24cm3; (15)Surface Tension: 49.231 dyne/cm; (16)Enthalpy of Vaporization: 55.929 kJ/mol; (17)Boiling Point: 317.84 °C at 760 mmHg.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)N2CC=CC2
(2)InChI: InChI=1/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-7H,8-10H2
(3)InChIKey: XSKKIFJNZPNVGO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H13NO2/c14-12(13-8-4-5-9-13)15-10-11-6-2-1-3-7-11/h1-7H,8-10H2
(5)Std. InChIKey: XSKKIFJNZPNVGO-UHFFFAOYSA-N