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62895-25-4

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Basic Information
CAS No.: 62895-25-4
Name: Phenanthridinium, 3,8-diamino-5-ethyl-6-methyl-
Molecular Structure:
Molecular Structure of 62895-25-4 (Phenanthridinium, 3,8-diamino-5-ethyl-6-methyl-)
Formula: C16H18N3
Molecular Weight: 252.33
Synonyms: 3,8-Diamino-5-ethyl-6-methylphenanthridinium;5-Ethyl-6-methylphenanthridin-5-ium-3,8-diamine;
PSA: 56.42000
LogP: 2.57540
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Specification

The Phenanthridinium,3,8-diamino-5-ethyl-6-methyl-, with the CAS registry number 62895-25-4, is also known as 5-Ethyl-6-methylphenanthridin-5-ium-3,8-diamine. This chemical's molecular formula is C16H18N3 and molecular weight is 252.33. What's more, its systematic name is 3,8-Diamino-5-ethyl-6-methylphenanthridinium.

Physical properties of Phenanthridinium,3,8-diamino-5-ethyl-6-methyl- are: (1)#H bond acceptors: 3; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 10.36 Å2; (5)XLogP3-AA: 2.9; (6)H-Bond Donor: 2; (7)H-Bond Acceptor: 2; (8)Rotatable Bond Count: 1; (9)Tautomer Count: 13; (10)Topological Polar Surface Area: 55.9; (11)Heavy Atom Count: 19; (12)Formal Charge: 1; (13)Complexity: 319; (14)Covalently-Bonded Unit Count: 1; (15)Feature 3D Donor Count: 2; (16)Feature 3D Cation Count: 2; (17)Feature 3D Ring Count: 3; (18)Effective Rotor Count: 1; (19)Conformer Sampling RMSD: 0.6; (20)CID Conformer Count: 1.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C)N)N
(2)InChI: InChI=1S/C16H17N3/c1-3-19-10(2)15-8-11(17)4-6-13(15)14-7-5-12(18)9-16(14)19/h4-9,18H,3,17H2,1-2H3/p+1
(3)InChIKey: DINQFGXYZLYRRH-UHFFFAOYSA-O