CAS No.54881-13-9,1-Benzylazetidin-3-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	54881-13-9
Name:	1-Benzylazetidin-3-ol
Article Data:	13

Formula:	C₁₀H₁₃NO
Molecular Weight:	163.219
Synonyms:	1-Benzyl-3-hydroxyazetidine;1-Benzyl-3-hydroxyazetidine;
Density:	1.189 g/cm³
Melting Point:	64-65 °C
Boiling Point:	259.17 °C at 760 mmHg
Flash Point:	105.864 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	23.47000
LogP:	0.80100

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Specification

The IUPAC name of 3-Azetidinol,1-(phenylmethyl)- is 1-benzylazetidin-3-ol. With the CAS registry number 54881-13-9, it is also named as 1-Benzyl-3-hydroxyazetidine. The product's category is Heterocyclic Compounds. It should be stored in closed conainer in a cool, dry place. In addition, its molecular formula is C₁₀H₁₃NO and molecular weight is 163.22.

The other characteristics of 3-Azetidinol,1-(phenylmethyl)- can be summarized as: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.132; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 3.478; (6)ACD/KOC (pH 5.5): 1.566; (7)ACD/KOC (pH 7.4): 66.607; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 23.47 Å²; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 48.159 cm³; (14)Molar Volume: 137.329 cm³; (15)Polarizability: 19.092×10^-24cm³; (16)Surface Tension: 56.012 dyne/cm; (17)Density: 1.189 g/cm³; (18)Flash Point: 105.864 °C; (19)Enthalpy of Vaporization: 52.488 kJ/mol; (20)Boiling Point: 259.17 °C at 760 mmHg; (21)Vapour Pressure: 0.007 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc(cc1)CN2CC(C2)O
(2)InChI: InChI=1/C10H13NO/c12-10-7-11(8-10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
(3)InChIKey: JOXQHYFVXZZGQZ-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H13NO/c12-10-7-11(8-10)6-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
(5)Std. InChIKey: JOXQHYFVXZZGQZ-UHFFFAOYSA-N