2-Amino-1,4-naphthoquinone imine

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Basic information

CAS: 20513-06-8
Standard SMILES: N=C1C=C(N)C(=O)c2ccccc21
InChIKey: QDPCYPPJLOKHQK-UHFFFAOYSA-N
Molecular formula: C10H8N2O
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.06366288

Overview

RN given refers to parent cpd; structure

Names & identifiers

Preferred name: 2-Amino-1,4-naphthoquinone imine
IUPAC: 2-amino-4-iminonaphthalen-1-one

Names & synonyms

2-Amino-1,4-naphthoquinone imine20513-06-81(4H)-NAPHTHALENONE, 2-AMINO-4-IMINO-RefChem:850342-Amino-4-imino-1(4H)-naphthalenone2-amino-4-imino-naphthalen-1-oneNSC150132-amino-4-iminonaphthalen-1-oneBRN 2830840DTXSID4013582981(4H)-Naphthalenone der.CHEMBL535032

Show more names

1,4-Naphthoquinone imine, 2-amino-

Database identifiers

CAS: 20513-06-8、5438-85-7
PubChem CID: 21579
DTXSID: DTXSID401358298
ChEMBL: CHEMBL535032
Nikkaji: J1.560.514F

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 66.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 293

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Compound notes

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