1-Cbz-2,5-dihydro-1H-pyrrole supplier

Name
BENZYL 3-PYRROLINE-1-CARBOXYLATE 90
EINECS
CAS No. 31970-04-4
Article Data43
CAS DataBase
Density 1.186 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₃NO₂
Boiling Point 317.84 °C at 760 mmHg
Molecular Weight 203.241
Flash Point 146.025 °C
Transport Information
Appearance
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;
PSA 29.54000
LogP 2.13290

1-Cbz-2,5-dihydro-1H-pyrrole Specification

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

Product Name

BENZYL 3-PYRROLINE-1-CARBOXYLATE 90

1-Cbz-2,5-dihydro-1H-pyrrole Specification

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