Home >> Chemicals Listing >> hot product list by C  

Cyclobutanamine,1-phenyl- (17380-77-7)

Identification
Name:Cyclobutanamine,1-phenyl-
Synonyms:Cyclobutylamine,1-phenyl- (8CI);cyclobutanamine, 1-phenyl-;
CAS:17380-77-7
Molecular Formula: C10H13N
Molecular Weight: 147.2169
InChI: InChI=1/C10H13N/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2
Molecular Structure: (C10H13N) Cyclobutylamine,1-phenyl- (8CI);cyclobutanamine, 1-phenyl-;
Properties
Flash Point: 98 oC
Density:1.042
Refractive index:1.5449
Specification:

The 1-Phenylcyclobutylamine with cas registry number of 17380-77-7, has the  IUPAC name of 1-phenylcyclobutan-1-amine. And it's also named cyclobutanamine, 1-phenyl-. Its system generated number is 0017380777. Refractive index of 1-Phenylcyclobutylamine is 1.5449.

Physical properties about this chemical are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4)ACD/LogD (pH 7.4): -0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 1; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 46.34 cm3; (15)Molar Volume: 141.1 cm3; (16)Polarizability: 18.37×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Enthalpy of Vaporization: 46.94 kJ/mol; (19)Vapour Pressure: 0.0582 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: c1ccc(cc1)C2(N)CCC2;
(2)InChI: InChI=1/C10H13N/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2;
(3)InChIKey: OZJAIRCFCMQFIF-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C10H13N/c11-10(7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,11H2;
(5)Std. InChIKey: OZJAIRCFCMQFIF-UHFFFAOYSA-N.

Flash Point: 98 oC
Safety Data