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Name
CIS-5-BENZYLTETRAHYDROPYRROLO[3,4-C]PYRROLE-1,3(2H,3AH)-DIONE
- EINECS
- CAS No. 370879-53-1
- Article Data5
- CAS DataBase
- Density 1.269g/cm3
- Solubility
- Melting Point 157-158°
- Formula C13H14 N2 O2
- Boiling Point 416.3°Cat760mmHg
- Molecular Weight 230.266
- Flash Point 205.6°C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms cis-5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
- PSA 49.41000
- LogP 0.65770
cis-5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione Chemical Properties
Molecular Structure of cis-5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione (CAS No.370879-53-1):
Molecular Formula: C13H14N2O2
Molecular Weight: 230.2625
CAS No: 370879-53-1
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 40.62 Å2
Index of Refraction: 1.6
Molar Refractivity: 62.06 cm3
Molar Volume: 181.3 cm3
Surface Tension: 51.5 dyne/cm
Density: 1.269 g/cm3
Flash Point: 205.6 °C
Enthalpy of Vaporization: 66.95 kJ/mol
Boiling Point: 416.3 °C at 760 mmHg
Vapour Pressure: 3.86E-07 mmHg at 25°C
InChI: InChI=1/C13H14N2O2/c16-12-10-7-15(8-11(10)13(17)14-12)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,16,17)/t10-,11+
InChIKey: COFHBZBIKPEYNP-PHIMTYICBR
Std. InChI: InChI=1S/C13H14N2O2/c16-12-10-7-15(8-11(10)13(17)14-12)6-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,16,17)/t10-,11+
Std. InChIKey: COFHBZBIKPEYNP-PHIMTYICSA-N
IUPAC Name: (3aS,6aR)-5-Benzyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
Product Categories: Pharmacetical
cis-5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione Specification
cis-5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione (CAS No.370879-53-1), its synonyms are (3aR,6aS)-5-Benzyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione ; Pyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione, tetrahydro-5-(phenylmethyl)-, (3aR,6aS)- .
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