Oxazine 170 perchlorate

• CAS: 62669-60-7
• Catalog Number: ACM62669607
• Category: Organic & Printed Electronics
• Molecular Weight: 431.9g/mol
• Molecular Formula: C21H22ClN3O5
• Synonyms: 5,9-bis(ethylamino)-10-methyl-benzo[a]phenoxazin-7-iuperchlorate;OXAZINE 120 PERCHLORATE;OXAZINE 170 PERCHLORATE;OXAZINE 720;9-ETHYLAMINO-5-ETHYLIMINO-10-METHYL-5H-BENZO[A]PHENOXAZONIUM PERCHLORATE;3,7-BIS(ETHYLAMINO)-8-METHYL-BENZO[A]PHENOXAZINIUM PERCHL
• IUPAC Name: ethyl-[5-(ethylamino)-10-methylbenzo[a]phenoxazin-9-ylidene]azanium;perchlorate
• Canonical SMILES: CCNC1=CC2=C(C3=CC=CC=C31)N=C4C=C(C(=[NH+]CC)C=C4O2)C.[O-]Cl(=O)(=O)=O
• InChI: InChI=1S/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/h6-12,23H,4-5H2,1-3H3;(H,2,3,4,5)
• InChI Key: CBXAZZAYBZVPEZ-UHFFFAOYSA-N
• Complexity: 741
• Covalently-Bonded Unit Count: 2
• EC Number: 263-682-0
• Exact Mass: 431.124798g/mol
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 2
• Heavy Atom Count: 30
• Monoisotopic Mass: 431.124798g/mol
• Rotatable Bond Count: 3

Custom Q&A

What is the molecular formula of Oxazine 170 perchlorate?

The molecular formula of Oxazine 170 perchlorate is C21H22ClN3O5.

What is the molecular weight of Oxazine 170 perchlorate?

The molecular weight of Oxazine 170 perchlorate is 431.9 g/mol.

What is the IUPAC name of Oxazine 170 perchlorate?

The IUPAC name of Oxazine 170 perchlorate is ethyl-[5-(ethylamino)-10-methylbenzo[a]phenoxazin-9-ylidene]azanium;perchlorate.

What is the InChI of Oxazine 170 perchlorate?

The InChI of Oxazine 170 perchlorate is InChI=1S/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/h6-12,23H,4-5H2,1-3H3;(H,2,3,4,5).

What is the InChIKey of Oxazine 170 perchlorate?

The InChIKey of Oxazine 170 perchlorate is CBXAZZAYBZVPEZ-UHFFFAOYSA-N.

What is the canonical SMILES of Oxazine 170 perchlorate?

The canonical SMILES of Oxazine 170 perchlorate is CCNC1=CC2=C(C3=CC=CC=C31)N=C4C=C(C(=[NH+]CC)C=C4O2)C.[O-]Cl(=O)(=O)=O.

What is the CAS number of Oxazine 170 perchlorate?

The CAS number of Oxazine 170 perchlorate is 62669-60-7.

What is the hydrogen bond donor count of Oxazine 170 perchlorate?

The hydrogen bond donor count of Oxazine 170 perchlorate is 2.

What is the hydrogen bond acceptor count of Oxazine 170 perchlorate?

The hydrogen bond acceptor count of Oxazine 170 perchlorate is 7.

What is the topological polar surface area of Oxazine 170 perchlorate?

The topological polar surface area of Oxazine 170 perchlorate is 122Ų.