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Cas Database |
| Name |
Phenanthridinium, 5-methyl-, chloride (1:1) |
EINECS | N/A |
| CAS No. | 65201-98-1 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C14H12ClN | Boiling Point | N/A |
| Molecular Weight | 229.7 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phenanthridinium, 5-methyl-, chloride;N-Methylphenanthridinium chloride;5-Methylphenanthridinium chloride;5-Methylphenanthridin-5-ium chloride; |
Article Data | 4 |
Phenanthridinium, 5-methyl-, chloride (1:1) Specification
The Phenanthridinium, 5-methyl-, chloride (1:1), with the CAS registry number 65201-98-1, is also known as N-Methylphenanthridinium chloride. This chemical's molecular formula is C14H12ClN and molecular weight is 229.7. What's more, its systematic name is 5-methylphenanthridinium chloride.
Computational chemistry data of Phenanthridinium, 5-methyl-, chloride (1:1) are: (1)H-Bond Donor 0; (2)H-Bond Acceptor 1; (3)Rotatable Bond Count 0; (4)Exact Mass 229.065827; (5)MonoIsotopic Mass 229.065827; (6)Topological Polar Surface Area 3.9; (7)Heavy Atom Count 16; (8)Formal Charge 0; (9)Complexity 225; (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 can still convert the following datas into molecular structure:
(1)Canonical SMILES: C[N+]1=CC2=CC=CC=C2C3=CC=CC=C31.[Cl-]
(2)InChI: InChI=1S/C14H12N.ClH/c1-15-10-11-6-2-3-7-12(11)13-8-4-5-9-14(13)15;/h2-10H,1H3;1H/q+1;/p-1
(3)InChIKey: CDIPADBUKXVJFU-UHFFFAOYSA-M
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