N-Benzyl-N-methyl-1H-benzotriazole-1-methanamine - CAS 57684-27-2
Catalog: |
BB029789 |
Product Name: |
N-Benzyl-N-methyl-1H-benzotriazole-1-methanamine |
CAS: |
57684-27-2 |
Synonyms: |
N-(1-benzotriazolylmethyl)-N-methyl-1-phenylmethanamine; N-(benzotriazol-1-ylmethyl)-N-methyl-1-phenylmethanamine |
IUPAC Name: | N-(benzotriazol-1-ylmethyl)-N-methyl-1-phenylmethanamine |
Description: | N-Benzyl-N-methyl-1H-benzotriazole-1-methanamine (CAS# 57684-27-2 ) is a useful research chemical. |
Molecular Weight: | 252.31 |
Molecular Formula: | C15H16N4 |
Canonical SMILES: | CN(CC1=CC=CC=C1)CN2C3=CC=CC=C3N=N2 |
InChI: | InChI=1S/C15H16N4/c1-18(11-13-7-3-2-4-8-13)12-19-15-10-6-5-9-14(15)16-17-19/h2-10H,11-12H2,1H3 |
InChI Key: | HUVTWWKKTQIJRB-UHFFFAOYSA-N |
LogP: | 2.52080 |
Publication Number | Title | Priority Date |
WO-2015103453-A1 | Heteroaryl substituted nicotinamide compounds | 20140103 |
WO-2013004984-A1 | Tricyclic compounds for use as kinase inhibitors | 20110707 |
US-2009137618-A1 | Pro-drugs for controlled release of biologically active compounds | 20071126 |
US-9023860-B2 | Pro-drugs for controlled release of biologically active compounds | 20071126 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.137496527 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.137496527 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 34 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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