2-Cyanoacetic acid 1-(diphenylmethyl)-3-azetidinyl ester supplier

Name
2-Cyanoacetic acid 1-(diphenylmethyl)-3-azetidinyl ester
EINECS 1312995-182-4
CAS No. 116574-14-2
Density 1.223 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₈N₂O₂
Boiling Point 446.43 °C at 760 mmHg
Molecular Weight 306.364
Flash Point 223.793 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, cyano-, 1-(diphenylmethyl)-3-azetidinyl ester (9CI);1-(Diphenylmethyl)azetidin-3-yl cyanoacetate;
PSA 53.33000
LogP 2.85498

2-Cyanoacetic acid 1-(diphenylmethyl)-3-azetidinyl ester Specification

The CAS register number of 2-Cyanoacetic acid 1-(diphenylmethyl)-3-azetidinyl ester is 116574-14-2. It also can be called as Acetic acid, 2-cyano-,1-(diphenylmethyl)-3-azetidinyl ester and the systematic name about this chemical is 1-(diphenylmethyl)azetidin-3-yl cyanoacetate. The molecular formula about this chemical is C₁₉H₁₈N₂O₂and the molecular weight is 306.36.

Physical properties about 2-Cyanoacetic acid 1-(diphenylmethyl)-3-azetidinyl ester are: (1)ACD/LogP: 1.33; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 53.33Å²; (5)Index of Refraction: 1.615; (6)Molar Refractivity: 87.472 cm³; (7)Molar Volume: 250.53 cm³; (8)Polarizability: 34.677x10^-24cm³; (9)Surface Tension: 56.081 dyne/cm; (10)Enthalpy of Vaporization: 70.459 kJ/mol; (11)Boiling Point: 446.43 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#CCC(=O)OC3CN(C(c1ccccc1)c2ccccc2)C3
(2)InChI: InChI=1/C19H18N2O2/c20-12-11-18(22)23-17-13-21(14-17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11,13-14H2
(3)InChIKey: KSZGPBFUBSHVTO-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C19H18N2O2/c20-12-11-18(22)23-17-13-21(14-17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17,19H,11,13-14H2
(5)Std. InChIKey: KSZGPBFUBSHVTO-UHFFFAOYSA-N

Product Name

2-Cyanoacetic acid 1-(diphenylmethyl)-3-azetidinyl ester

2-Cyanoacetic acid 1-(diphenylmethyl)-3-azetidinyl ester Specification

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