6-(Boc-aminomethyl)-1,2,3-benzotriazole - CAS 1823790-58-4
Catalog: |
BB013953 |
Product Name: |
6-(Boc-aminomethyl)-1,2,3-benzotriazole |
CAS: |
1823790-58-4 |
Synonyms: |
N-(2H-benzotriazol-5-ylmethyl)carbamic acid tert-butyl ester; tert-butyl N-(2H-benzotriazol-5-ylmethyl)carbamate |
IUPAC Name: | tert-butyl N-(2H-benzotriazol-5-ylmethyl)carbamate |
Description: | 6-(Boc-aminomethyl)-1,2,3-benzotriazole (CAS# 1823790-58-4 ) is a useful research chemical. |
Molecular Weight: | 248.28 |
Molecular Formula: | C12H16N4O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CC2=NNN=C2C=C1 |
InChI: | InChI=1S/C12H16N4O2/c1-12(2,3)18-11(17)13-7-8-4-5-9-10(6-8)15-16-14-9/h4-6H,7H2,1-3H3,(H,13,17)(H,14,15,16) |
InChI Key: | PFBVMIRLPDLMEW-UHFFFAOYSA-N |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.12732577 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.12732577 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 79.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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