The Oxazine 170 perchlorate, with the CAS registry number 62669-60-7 and EINECS registry number 263-682-0, has the systematic name of N-[(5Z)-9-(ethylamino)-10-methyl-5H-benzo[a]phenoxazin-5-ylidene]ethanaminium perchlorate. The molecular formula of the chemical is C21H22N3O.ClO4. And it belongs to the following product categories: Laser Dyes; Organic Electronics and Photonics; Photonic and Optical Materials.
The characteristics of this chemical are as followings: (1)H-Bond Donor 2; (2)H-Bond Acceptor 7; (3)Rotatable Bond Count 3; (4)Exact Mass 431.124799; (5)MonoIsotopic Mass 431.124799; (6)Topological Polar Surface Area 122; (7)Heavy Atom Count 30; (8)Formal Charge 0; (9)Complexity 690; (10)Isotope Atom Count 0; (11)Defined Atom StereoCenter Count 0; (12)Undefined Atom StereoCenter Count 0; (13)Defined Bond StereoCenter Count 0; (14)Undefined Bond StereoCenter Count 0; (15)Covalently-Bonded Unit Count 2.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-]Cl(=O)(=O)=O.CC\[NH+]=C3\C=C/1\Oc4cc(NCC)c(C)cc4\N=C\1c2ccccc23
(2)InChI: InChI=1/C21H21N3O.ClHO4/c1-4-22-16-11-19-18(10-13(16)3)24-21-15-9-7-6-8-14(15)17(23-5-2)12-20(21)25-19;2-1(3,4)5/h6-12,22H,4-5H2,1-3H3;(H,2,3,4,5)/b23-17-;
(3)InChIKey: YCGJPLISNURWCC-AHKBEGBGBC
|