2-(1,2,4-Triazol-1-yl)benzylamine - CAS 449756-97-2
Catalog: |
BB025737 |
Product Name: |
2-(1,2,4-Triazol-1-yl)benzylamine |
CAS: |
449756-97-2 |
Synonyms: |
[2-(1,2,4-triazol-1-yl)phenyl]methanamine; [2-(1,2,4-triazol-1-yl)phenyl]methanamine |
IUPAC Name: | [2-(1,2,4-triazol-1-yl)phenyl]methanamine |
Description: | 2-(1,2,4-Triazol-1-yl)benzylamine (CAS# 449756-97-2) is a useful research chemical. |
Molecular Weight: | 174.20 |
Molecular Formula: | C9H10N4 |
Canonical SMILES: | C1=CC=C(C(=C1)CN)N2C=NC=N2 |
InChI: | InChI=1S/C9H10N4/c10-5-8-3-1-2-4-9(8)13-7-11-6-12-13/h1-4,6-7H,5,10H2 |
InChI Key: | NIIBEJVCPXCXBQ-UHFFFAOYSA-N |
Boiling Point: | 375.9 ℃ at 760 mmHg |
Density: | 1.26 g/cm3 |
MDL: | MFCD12027080 |
LogP: | 1.42630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2634190-A1 | Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhinitors | 20120301 |
EP-2820020-B1 | Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhibitors | 20120301 |
US-2015018329-A1 | Pharmaceutically active pyrazolo-triazine derivatives | 20120301 |
WO-2013128028-A1 | Pyrazolo - triazine derivatives as selective cyclin- dependent kinase inhinitors | 20120301 |
US-2010179166-A1 | Carboxamide heterocyclic cgrp receptor antagonists | 20070605 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.090546336 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.090546336 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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