1-(Boc-aminomethyl)-3-(5-tetrazolyl)benzene - CAS 1398534-55-8
Catalog: |
BB008988 |
Product Name: |
1-(Boc-aminomethyl)-3-(5-tetrazolyl)benzene |
CAS: |
1398534-55-8 |
Synonyms: |
N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]carbamic acid tert-butyl ester; tert-butyl N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]carbamate |
IUPAC Name: | tert-butyl N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]carbamate |
Description: | 1-(Boc-aminomethyl)-3-(5-tetrazolyl)benzene (CAS# 1398534-55-8 ) is a useful research chemical. |
Molecular Weight: | 275.31 |
Molecular Formula: | C13H17N5O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CC=CC(=C1)C2=NNN=N2 |
InChI: | InChI=1S/C13H17N5O2/c1-13(2,3)20-12(19)14-8-9-5-4-6-10(7-9)11-15-17-18-16-11/h4-7H,8H2,1-3H3,(H,14,19)(H,15,16,17,18) |
InChI Key: | KTUVOGMHFNKUJR-UHFFFAOYSA-N |
LogP: | 2.28230 |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.1382248 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.1382248 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 92.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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