2-(1-Tetrazolyl)benzylamine - CAS 449756-94-9
Catalog: |
BB025735 |
Product Name: |
2-(1-Tetrazolyl)benzylamine |
CAS: |
449756-94-9 |
Synonyms: |
[2-(1-tetrazolyl)phenyl]methanamine; [2-(tetrazol-1-yl)phenyl]methanamine |
IUPAC Name: | [2-(tetrazol-1-yl)phenyl]methanamine |
Description: | 2-(1-Tetrazolyl)benzylamine (CAS# 449756-94-9) is a useful research chemical. |
Molecular Weight: | 175.19 |
Molecular Formula: | C8H9N5 |
Canonical SMILES: | C1=CC=C(C(=C1)CN)N2C=NN=N2 |
InChI: | InChI=1S/C8H9N5/c9-5-7-3-1-2-4-8(7)13-6-10-11-12-13/h1-4,6H,5,9H2 |
InChI Key: | KAPGCSIVXSTJOS-UHFFFAOYSA-N |
LogP: | 0.82130 |
Publication Number | Title | Priority Date |
CN-108190863-B | Preparation method of nitrogen-doped carbon nanohorn | 20180302 |
TW-200911787-A | New aza-bicyclohexane compounds useful as inhibitors of thrombin | 20070703 |
AU-2005317886-A1 | 1,6 - substituted (3R,6R) -3- (2,3-dihydro-1H-inden-2-yl)-2,5-piperazinedione derivatives as oxytocin receptor antagonists for the treatment of pre-term labour, dysmenorrhea and endometriosis | 20041223 |
CA-2591827-A1 | 1,6 - substituted (3r,6r) -3- (2,3-dihydro-1h-inden-2-yl)-2,5-piperazinedione derivatives as oxytocin receptor antagonists for the treatment of pre-term labour, dysmenorrhea and endometriosis | 20041223 |
EP-1831183-A1 | 1,6-substituted (3r,6r)-3-(2,3-dihydro-1h-inden-2-yl)-2,5-piperazinedione derivatives as oxytocin receptor antagonists for the treatment of pre-term labour, dysmenorrhea and endometriosis | 20041223 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.08579531 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.08579531 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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