N-[(4-Aminophenyl)-methylsulfonyl]pyryolidine supplier

Name
1-[[(4-Aminophenyl)methyl]sulfonyl]-pyrrolidine
EINECS 608-876-1
CAS No. 334981-10-1
Article Data3
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point 170-176 °C
Formula C₁₁H₁₆N₂O₂S
Boiling Point 434.2 °C at 760 mmHg
Molecular Weight 240.326
Flash Point 216.4 °C
Transport Information
Appearance Pale yellow solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrrolidine,1-[[(4-aminophenyl)methyl]sulfonyl]- (9CI);1-((4-Aminobenzenemethane)sulfonyl)pyrrolidine;
PSA 71.78000
LogP 2.79430

N-[(4-Aminophenyl)-methylsulfonyl]pyryolidine Specification

The N-[(4-Aminophenyl)-methylsulfonyl]pyryolidine with the CAS number 334981-10-1 is also called Benzenamine,4-[(1-pyrrolidinylsulfonyl)methyl]-. The systematic name is 4-[(pyrrolidin-1-ylsulfonyl)methyl]aniline. Its molecular formula is C₁₁H₁₆N₂O₂S. The product's category is API intermediates. This chemical is intermediate in the preparation of Almotriptan.

The properties of the chemical are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.73; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.08; (6)ACD/BCF (pH 7.4): 2.23; (7)ACD/KOC (pH 5.5): 57.71; (8)ACD/KOC (pH 7.4): 61.72; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 49 Å²; (13)Index of Refraction: 1.618; (14)Molar Refractivity: 64.18 cm³; (15)Molar Volume: 183.1 cm³; (16)Polarizability: 25.44×10^-24cm³; (17)Surface Tension: 59.4 dyne/cm; (18)Enthalpy of Vaporization: 69.03 kJ/mol; (19)Vapour Pressure: 9.65×10^-8mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(N1CCCC1)Cc2ccc(N)cc2
(2)InChI: InChI=1/C11H16N2O2S/c12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
(3)InChIKey: VNSKHALYBQZMFW-UHFFFAOYAO

Product Name

1-[[(4-Aminophenyl)methyl]sulfonyl]-pyrrolidine

N-[(4-Aminophenyl)-methylsulfonyl]pyryolidine Specification

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