CAS 25167-12-8 | Phenol, diamino- | CAS Number 25167-12-8

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25167-12-8 | Phenol, diamino-

CAS No: 25167-12-8 Catalog No: AG002QQN MDL No:

Product Description

Catalog Number:

AG002QQN

Chemical Name:

Phenol, diamino-

CAS Number:

25167-12-8

Molecular Formula:

C6H8N2O

Molecular Weight:

124.1405

IUPAC Name:

2,3-diaminophenol

InChI:

InChI=1S/C6H8N2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H,7-8H2

InChI Key:

PCAXITAPTVOLGL-UHFFFAOYSA-N

SMILES:

Nc1c(N)cccc1O

Properties

Complexity:

97.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

124.064g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

124.143g/mol

Monoisotopic Mass:

124.064g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2

Literature

Title	Journal
Synthesis and structure of aluminium amine-phenolate complexes.	Dalton transactions (Cambridge, England : 2003) 20090728
Degradation of picric acid and 2,6-DNT in marine sediments and waters: the role of microbial activity and ultra-violet exposure.	Chemosphere 20040801
Pd(II) and Pt(II) complexes with aromatic diamines: study of their interaction with DNA.	Journal of inorganic biochemistry 20040301