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2-Oxabicyclo[2.2.1]heptane-1-carboxamide,4,7,7-trimethyl-3-oxo-, (1S)- (9CI) (54200-37-2)

Identification
Name:2-Oxabicyclo[2.2.1]heptane-1-carboxamide,4,7,7-trimethyl-3-oxo-, (1S)- (9CI)
Synonyms:Camphanicacid amide
CAS:54200-37-2
Molecular Formula: C10H15 N O3
Molecular Weight: 197.23
InChI: InChI=1/C10H15NO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H2,11,12)/t9-,10+/m0/s1
Molecular Structure: (C10H15NO3) Camphanicacid amide
Properties
Flash Point: 217.7°C
Boiling Point: 393.3°Cat760mmHg
Density:1.239g/cm3
Refractive index:1.533
Specification:

The (1S)-(-)-Camphanic acid amide, with the CAS registry number 54200-37-2, has the systematic name of (1S,4R)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C10H15NO3.

The characteristics of (1S)-(-)-Camphanic acid amide are as followings: (1)ACD/LogP: -0.43; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 46.61 Å2; (7)Index of Refraction: 1.533; (8)Molar Refractivity: 49.39 cm3; (9)Molar Volume: 159 cm3; (10)Polarizability: 19.58×10-24cm3; (11)Surface Tension: 48.9 dyne/cm; (12)Density: 1.239 g/cm3; (13)Flash Point: 217.7 °C; (14)Enthalpy of Vaporization: 64.31 kJ/mol; (15)Boiling Point: 393.3 °C at 760 mmHg; (16)Vapour Pressure: 2.16E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(N)[C@]12OC(=O)[C@](CC1)(C2(C)C)C
(2)InChI: InChI=1/C10H15NO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3,(H2,11,12)/t9-,10+/m0/s1
(3)InChIKey: GBVNYFRWPFCGSF-VHSXEESVBQ

Flash Point: 217.7°C
Safety Data
 

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