related chemical

CAS 19992-45-1 chemical formula,CAS 19992-45-1 MSDS,CAS 19992-45-1 chemical properties

CAS Number 19992-45-1
chem name Cyclohexanamine,4-phenyl
formula C12H17N
structure
synonyms Cyclohexylamine,4-phenyl- (7CI,8CI);4-Phenylcyclohexanamine;4-Phenylcyclohexylamine;
properties

CAS Number 19992-45-1 properties (MSDS)

Specification

The Cyclohexanamine,4-phenyl-, with the CAS registry number 19992-45-1, is also known as 4-Phenylcyclohexanamine. Its EINECS registry number is 243-453-1. This chemical's molecular formula is C12H17N and molecular weight is 175.27. What's more, its IUPAC name is called 4-Phenylcyclohexan-1-amine. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about Cyclohexanamine,4-phenyl- are: (1) ACD/LogP: 2.86; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -0.24; (4) ACD/LogD (pH 7.4): 0.06; (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): 1.37; (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: 1.537; (14) Molar Refractivity: 55.66 cm3; (15) Molar Volume: 178.2 cm3; (16) Surface Tension: 38.3 dyne/cm; (17) Density: 0.983 g/cm3; (18) Flash Point: 125.9 °C; (19) Enthalpy of Vaporization: 51.73 kJ/mol; (20) Boiling Point: 278.6 °C at 760 mmHg; (21) Vapour Pressure: 0.00421 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cccc1)C2CCC(N)CC2
(2) InChI: InChI=1/C12H17N/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
(3) InChIKey: SJISCEAZUHNOMD-UHFFFAOYAM