CAS No.3717-60-0,N-Benzyl-1-aminoadamantane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3717-60-0
Name:	N-Benzyl-1-aminoadamantane
Article Data:	17

Formula:	C₁₇H₂₃N
Molecular Weight:	241.376
Synonyms:	1-Adamantanamine,N-benzyl- (7CI,8CI);N-(1-Adamantyl)-N-benzylamine;N-Benzyl-1-adamantanamine;N-Benzyl-1-aminoadamantane;N-benzyltricyclo[3.3.1.13,7]decan-1-amine;Tricyclo[3.3.1.1]decan-1-amine, N-(phenylmethyl)-;
Density:	1.07 g/cm³
Boiling Point:	352.2 °C at 760 mmHg
Flash Point:	172.4 °C
PSA:	12.03000
LogP:	4.13590

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Specification

The N-Benzyl-1-aminoadamantane, with the CAS registry number 3717-60-0, has the systematic name of N-benzyltricyclo[3.3.1.13,7]decan-1-amine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₇H₂₃N.

The characteristics of N-Benzyl-1-aminoadamantane are as followings: (1)ACD/LogP: 4.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 1.06; (6)ACD/BCF (pH 7.4): 2.56; (7)ACD/KOC (pH 5.5): 4.78; (8)ACD/KOC (pH 7.4): 11.61; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 75.15 cm³; (15)Molar Volume: 224 cm³; (16)Polarizability: 29.79×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Density: 1.07 g/cm³; (19)Flash Point: 172.4 °C; (20)Enthalpy of Vaporization: 59.7 kJ/mol; (21)Boiling Point: 352.2 °C at 760 mmHg; (22)Vapour Pressure: 3.91E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1ccccc1CNC24CC3CC(CC(C2)C3)C4
(2)InChI: InChI=1/C17H23N/c1-2-4-13(5-3-1)12-18-17-9-14-6-15(10-17)8-16(7-14)11-17/h1-5,14-16,18H,6-12H2
(3)InChIKey: OFNIFAABSYOPSM-UHFFFAOYAE