4-(2H-Tetrazol-5-yl)benzylamine Hydrochloride - CAS 177595-28-7
Catalog: |
BB013310 |
Product Name: |
4-(2H-Tetrazol-5-yl)benzylamine Hydrochloride |
CAS: |
177595-28-7 |
Synonyms: |
[4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride; [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride |
IUPAC Name: | [4-(2H-tetrazol-5-yl)phenyl]methanamine;hydrochloride |
Description: | 4-(2H-Tetrazol-5-yl)benzylamine Hydrochloride (CAS# 177595-28-7) is a useful research chemical. |
Molecular Weight: | 211.65 |
Molecular Formula: | C8H10ClN5 |
Canonical SMILES: | C1=CC(=CC=C1CN)C2=NNN=N2.Cl |
InChI: | InChI=1S/C8H9N5.ClH/c9-5-6-1-3-7(4-2-6)8-10-12-13-11-8;/h1-4H,5,9H2,(H,10,11,12,13);1H |
InChI Key: | AYGATWAUTLJNTK-UHFFFAOYSA-N |
LogP: | 1.82770 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2016144704-A2 | Heterocyclic autotaxin inhibitor compounds | 20150311 |
CA-2914997-A1 | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | 20130612 |
DK-3009426-T3 | 4-ALKYNYL-IMIDAZOLE DERIVATIVE AND MEDICINE COMPREHENSIVE AS AN ACTIVE INGREDIENT | 20130612 |
EP-3009426-A1 | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | 20130612 |
EP-3009426-B1 | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | 20130612 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0624730 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0624730 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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