2-methyl-octahydropyrrolo[3,4-c]pyrrole supplier

Name
2-Methyl-octahydro-pyrrolo[3,4-c]pyrrole
EINECS
CAS No. 86732-28-7
Article Data5
CAS DataBase
Density 0.97 g/cm³
Solubility
Melting Point
Formula C₇H₁₄N₂
Boiling Point 181.487 °C at 760 mmHg
Molecular Weight 126.202
Flash Point 73.152 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Methyl-octahydro-pyrrolo[3,4-c]pyrrole;5-Methyloctahydropyrrolo[3,4-c]pyrrole;
PSA 15.27000
LogP 0.03410

2-methyl-octahydropyrrolo[3,4-c]pyrrole Specification

The Pyrrolo[3, 4-c]pyrrole, octahydro-2-methyl-, with the CAS registry number of 86732-28-7, is also known as cis-2-Methylhexahydropyrrolo[3, 4-c]pyrrole. It belongs to the product categories of Amines and Anilines; Heterocycles; pharmacetical; API Intermediates. This chemical's molecular formula is C₇H₁₄N₂. What's more, its IUPAC name is 5-Methyl-2, 3, 3a, 4, 6, 6a-hexahydro-1H-pyrrolo[3, 4-c]pyrrole.

Physical properties about Pyrrolo[3, 4-c]pyrrole, octahydro-2-methyl- are: (1)ACD/LogP: -0.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 15.27 Å²; (11)Index of Refraction: 1.486; (12)Molar Refractivity: 37.345 cm³; (13)Molar Volume: 130.039 cm³; (14)Polarizability: 14.805×10^-24 cm³; (15)Surface Tension: 29.005 dyne/cm; (16)Density: 0.97 g/cm³; (17)Flash Point: 73.152 °C; (18)Enthalpy of Vaporization: 41.775 kJ/mol; (19)Boiling Point: 181.487 °C at 760 mmHg; (20)Vapour Pressure: 0.85 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN1CC2CNCC2C1
(2) InChI: InChI=1/C7H14N2/c1-9-4-6-2-8-3-7(6)5-9/h6-8H,2-5H2,1H3
(3) InChIKey: YQURLNGUWNDBIR-UHFFFAOYAC

Product Name

2-Methyl-octahydro-pyrrolo[3,4-c]pyrrole

2-methyl-octahydropyrrolo[3,4-c]pyrrole Specification

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