2-Furanmethanamine,N-phenyl- supplier

Name
NSC97553
EINECS
CAS No. 4439-56-9
Article Data136
CAS DataBase
Density 1.136 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₁NO
Boiling Point 281 °C at 760 mmHg
Molecular Weight 173.214
Flash Point 123.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Furfurylamine,N-phenyl- (6CI,8CI);Benzenamine, N-(2-furanylmethyl)-;N-(2-Furanylmethyl)aniline;N-Furfurylaniline;N-Phenylfurfurylamine;NSC 97553;
PSA 25.17000
LogP 2.96470

2-Furanmethanamine,N-phenyl- Specification

The 2-Furanmethanamine, N-phenyl-, with the CAS registry number of 4439-56-9, is also known as 2-Furylmethyl(phenyl)amine. This chemical's molecular formula is C₁₁H₁₁NO and molecular weight is 173.214. What's more, its IUPAC name is N-(Furan-2-ylmethyl)aniline.

Physical properties about 2-Furanmethanamine, N-phenyl- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 31.92; (6)ACD/BCF (pH 7.4): 32.4; (7)ACD/KOC (pH 5.5): 413.41; (8)ACD/KOC (pH 7.4): 419.57; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 16.38 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 52.64 cm³; (15)Molar Volume: 152.3 cm³; (16)Surface Tension: 43.9 dyne/cm; (17)Density: 1.136 g/cm³; (18)Flash Point: 123.7 °C; (19)Enthalpy of Vaporization: 51.97 kJ/mol; (20)Boiling Point: 281 °C at 760 mmHg; (21)Vapour Pressure: 0.00366 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: o1c(ccc1)CNc2ccccc2
(2) InChI: InChI=1/C11H11NO/c1-2-5-10(6-3-1)12-9-11-7-4-8-13-11/h1-8,12H,9H2
(3) InChIKey: HCYZEVXWZFESIN-UHFFFAOYAI

Product Name

NSC97553

2-Furanmethanamine,N-phenyl- Specification

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