3-Amino-1-diphenylmethylazetidine supplier

Name
3-Amino-1-diphenylmethylazetidine
EINECS 1312995-182-4
CAS No. 40432-52-8
Article Data14
CAS DataBase
Density 1.125 g/cm³
Solubility
Melting Point 63 °C
Formula C₁₆H₁₈N₂
Boiling Point 339.2 °C at 760 mmHg
Molecular Weight 238.332
Flash Point 146.2 °C
Transport Information
Appearance White powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Diphenylmethyl)-3-aminoazetidine;1-(Diphenylmethyl)-3-azetidinamine;1-Benzhydrylazetidin-3-ylamine;3-Amino-1-(diphenylmethyl)azetidine;3-Amino-1-benzhydrylazetidine;
PSA 29.26000
LogP 3.05710

3-Amino-1-diphenylmethylazetidine Specification

The IUPAC name of 3-Amino-1-diphenylmethylazetidine is 1-benzhydrylazetidin-3-amine. With the CAS registry number 40432-52-8, it is also named as 3-Azetidinamine,1-(diphenylmethyl)-. The product's categories are Amines; Azetidines; Ring Systems. Besides, it is white powder. In addition, its molecular formula is C₁₆H₁₈N₂ and molecular weight is 238.33.

The other characteristics of 3-Amino-1-diphenylmethylazetidine can be summarized as: (1)ACD/LogP: 2.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.69; (4)ACD/LogD (pH 7.4): 0.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 15.47; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 74.52 cm³; (15)Molar Volume: 211.7 cm³; (16)Polarizability: 29.54×10^-24cm³; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.125 g/cm³; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 58.27 kJ/mol; (21)Boiling Point: 339.2 °C at 760 mmHg; (22)Vapour Pressure: 9.32E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc(cc1)C(c2ccccc2)N3CC(N)C3
(2)InChI: InChI=1/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2
(3)InChIKey: LYTNNHXGUOKXFI-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C16H18N2/c17-15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12,17H2
(5)Std. InChIKey: LYTNNHXGUOKXFI-UHFFFAOYSA-N

Product Name

3-Amino-1-diphenylmethylazetidine

3-Amino-1-diphenylmethylazetidine Specification

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