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1219979-21-1

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Basic Information
CAS No.: 1219979-21-1
Name: N-(3-Azetidinyl)benzamide
Article Data: 2
Molecular Structure:
Molecular Structure of 1219979-21-1 (N-(3-Azetidinyl)benzamide)
Formula: C10H12N2O
Molecular Weight: 176.218
Synonyms: N-(3-Azetidinyl)benzamide
Density: 1.172 g/cm3
Boiling Point: 392.406 °C at 760 mmHg
Flash Point: 179.721 °C
PSA: 41.13000
LogP: 1.10790
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Specification

The N-(Azetidin-3-yl)benzamide has CAS registry number 1219979-21-1. This chemical's molecular formula is C10H12N2O and molecular weight is 176.2151. What's more, its systematic name is N-(Azetidin-3-yl)benzamide.

Physical properties about N-(Azetidin-3-yl)benzamide are: (1)ACD/LogP: 2.28; (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): 1.364; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 41.13 Å2; (11)Index of Refraction: 1.588; (12)Molar Refractivity: 50.626 cm3; (13)Molar Volume: 150.337 cm3; (14)Surface Tension: 47.194 dyne/cm; (15)Density: 1.172 g/cm3; (16)Flash Point: 179.721 °C; (17)Enthalpy of Vaporization: 64.215 kJ/mol; (18)Boiling Point: 392.406 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1ccc(cc1)C(=O)NC2CNC2
(2) InChI: InChI=1/C10H12N2O/c13-10(12-9-6-11-7-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
(3) InChIKey: OPYOGWIZRCQGOP-UHFFFAOYAV