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CAS No.: | 33237-72-8 |
---|---|
Name: | N-PHENYL-2-AMINOINDAN |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C15H15N |
Molecular Weight: | 209.291 |
Synonyms: | 2-Indanamine,N-phenyl- (8CI);2-Anilinoindan;2-Phenylaminoindan;N-Phenyl-2-aminoindan;N-Phenyl-2-indanamine; |
EINECS: | 251-416-6 |
Density: | 1.14 g/cm3 |
Boiling Point: | 365.5 °C at 760 mmHg |
Flash Point: | 187.7 °C |
PSA: | 12.03000 |
LogP: | 3.33890 |
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The 1H-Inden-2-amine,2,3-dihydro-N-phenyl-, with the CAS registry number 33237-72-8, is also known as N-Phenylindan-2-amine. Its EINECS registry number is 251-416-6. This chemical's molecular formula is C15H15N and molecular weight is 209.29. Its IUPAC name is called N-phenyl-2,3-dihydro-1H-inden-2-amine.
Physical properties of 1H-Inden-2-amine,2,3-dihydro-N-phenyl-: (1)ACD/LogP: 3.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.62; (4)ACD/LogD (pH 7.4): 3.8; (5)ACD/BCF (pH 5.5): 299.59; (6)ACD/BCF (pH 7.4): 452.73; (7)ACD/KOC (pH 5.5): 1830.32; (8)ACD/KOC (pH 7.4): 2765.95; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.659; (13)Molar Refractivity: 67.65 cm3; (14)Molar Volume: 183.4 cm3; (15)Surface Tension: 49.5 dyne/cm; (16)Density: 1.14 g/cm3; (17)Flash Point: 187.7 °C; (18)Enthalpy of Vaporization: 61.18 kJ/mol; (19)Boiling Point: 365.5 °C at 760 mmHg; (20)Vapour Pressure: 1.56E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(CC2=CC=CC=C21)NC3=CC=CC=C3
(2)InChI: InChI=1S/C15H15N/c1-2-8-14(9-3-1)16-15-10-12-6-4-5-7-13(12)11-15/h1-9,15-16H,10-11H2
(3)InChIKey: MHVHCDLCLNXADJ-UHFFFAOYSA-N