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54252-56-1

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Basic Information
CAS No.: 54252-56-1
Name: C-(3,4-DIHYDRO-2H-BENZO[1,4]OXAZIN-3-YL)-METHYLAMINE
Article Data: 6
Molecular Structure:
Molecular Structure of 54252-56-1 (C-(3,4-DIHYDRO-2H-BENZO[1,4]OXAZIN-3-YL)-METHYLAMINE)
Formula: C9H12N2O
Molecular Weight: 164.2
Synonyms: NSC 173322;C-(3,4-Dihydro-2h-benzo[1,4]oxazin-3-yl)-methylamine;(3,4-Dihydro-2hH-benzo[1,4]oxazin-3-yl)methylamine;
Density: 1.108 g/cm3
Boiling Point: 312.2 °C at 760 mmHg
Flash Point: 142.6 °C
PSA: 47.28000
LogP: 1.65650
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Specification

The CAS register number of 2H-1,4-Benzoxazine-3-methanamine,3,4-dihydro- is 54252-56-1. The IUPAC name about this chemical is 3,4-dihydro-2H-1,4-benzoxazin-3-ylmethanamine. The molecular formula about this chemical is C9H12N2O and the molecular weight is 164.2.

Physical properties about 2H-1,4-Benzoxazine-3-methanamine,3,4-dihydro- are: (1)ACD/LogP: 0.67; (2)#H bond acceptors: 3; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 15.71 Å2; (6)Index of Refraction: 1.547; (7)Molar Refractivity: 46.99 cm3; (8)Molar Volume: 148 cm3; (9)Polarizability: 18.63x10-24cm3; (10)Surface Tension: 45.3 dyne/cm; (11)Density: 1.108 g/cm3; (12)Flash Point: 142.6 °C; (13)Enthalpy of Vaporization: 55.32 kJ/mol; (14)Boiling Point: 312.2 °C at 760 mmHg; (15)Vapour Pressure: 0.000538 mmHg at 25 °C; (16)Topological Polar Surface Area: 47.3; (17)Heavy Atom Count: 12; (18)Complexity: 152; (19)Undefined Atom StereoCenter Count: 1; (20)Covalently-Bonded Unit Count: 1; (21)Feature 3D Acceptor Count: 1; (22)Feature 3D Donor Count: 2; (23)Feature 3D Cation Count: 2; (24)Feature 3D Ring Count: 2; (25)Effective Rotor Count: 1.8; (26)Conformer Sampling RMSD: 0.4; (27)CID Conformer Count: 8.

You can still convert the following datas into molecular structure:
(1)SMILES: O2c1ccccc1NC(C2)CN
(2)InChI: InChI=1/C9H12N2O/c10-5-7-6-12-9-4-2-1-3-8(9)11-7/h1-4,7,11H,5-6,10H2
(3)InChIKey: UOBUMUKUDJXGKK-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H12N2O/c10-5-7-6-12-9-4-2-1-3-8(9)11-7/h1-4,7,11H,5-6,10H2
(5)Std. InChIKey: UOBUMUKUDJXGKK-UHFFFAOYSA-N