benzyl 3-pyrroline-1-carboxylate (31970-04-4)

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: 29.54Ų; (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