N1,N3-Dimethyl-1,3-benzenediamine - CAS 14814-75-6
Catalog: |
BB010276 |
Product Name: |
N1,N3-Dimethyl-1,3-benzenediamine |
CAS: |
14814-75-6 |
Synonyms: |
N1,N3-dimethylbenzene-1,3-diamine; 1-N,3-N-dimethylbenzene-1,3-diamine |
IUPAC Name: | 1-N,3-N-dimethylbenzene-1,3-diamine |
Description: | N1,N3-Dimethyl-1,3-benzenediamine (CAS# 14814-75-6) is a useful research chemical. |
Molecular Weight: | 136.19 |
Molecular Formula: | C8H12N2 |
Canonical SMILES: | CNC1=CC(=CC=C1)NC |
InChI: | InChI=1S/C8H12N2/c1-9-7-4-3-5-8(6-7)10-2/h3-6,9-10H,1-2H3 |
InChI Key: | UQBNGMRDYGPUOO-UHFFFAOYSA-N |
LogP: | 1.91600 |
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PMID | Publication Date | Title | Journal |
17963207 | 20071123 | Macrocyclic statine-based inhibitors of BACE-1 | Chembiochem : a European journal of chemical biology |
15563168 | 20041201 | A general and high yielding fragment coupling synthesis of heteroatom-bridged calixarenes and the unprecedented examples of calixarene cavity fine-tuned by bridging heteroatoms | Journal of the American Chemical Society |
Complexity: | 83.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.100048391 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 24.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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