N1- (4- Methoxyphenyl) -1, 3- benzenediamine - CAS 76754-71-7
Catalog: |
BB056649 |
Product Name: |
N1- (4- Methoxyphenyl) -1, 3- benzenediamine |
CAS: |
76754-71-7 |
Synonyms: |
N1-(4-Methoxyphenyl)benzene-1,3-diamine |
IUPAC Name: | 3-N-(4-methoxyphenyl)benzene-1,3-diamine |
Description: | N1- (4- Methoxyphenyl) -1, 3- benzenediamine was used to observe effects of electron transfer in diphenylamine systems. |
Molecular Weight: | 214.26 |
Molecular Formula: | C13H14N2O |
Canonical SMILES: | COC1=CC=C(C=C1)NC2=CC=CC(=C2)N |
InChI: | InChI=1S/C13H14N2O/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12/h2-9,15H,14H2,1H3 |
InChI Key: | BRZXJWAHJSCNOG-UHFFFAOYSA-N |
References: | Popov, A. F., et al. Ukr Biokhim Zh., 46, 1209-1214 (1980). |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.110613074 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 47.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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