4-(1H-1,2,4-Triazol-1-ylmethyl)aniline hydrochloride - CAS 144235-64-3
Catalog: |
BB009746 |
Product Name: |
4-(1H-1,2,4-Triazol-1-ylmethyl)aniline hydrochloride |
CAS: |
144235-64-3 |
Synonyms: |
4-(1,2,4-triazol-1-ylmethyl)aniline;hydrochloride |
IUPAC Name: | 4-(1,2,4-triazol-1-ylmethyl)aniline;hydrochloride |
Description: | 4-(1H-1,2,4-Triazol-1-ylmethyl)aniline hydrochloride (CAS# 144235-64-3) is a useful research chemical compound. |
Molecular Weight: | 210.66 |
Molecular Formula: | C9H10N4 · HCl |
Canonical SMILES: | C1=CC(=CC=C1CN2C=NC=N2)N.Cl |
InChI: | InChI=1S/C9H10N4.ClH/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13;/h1-4,6-7H,5,10H2;1H |
InChI Key: | FEDYLAMMQSHIOY-UHFFFAOYSA-N |
Boiling Point: | 402.1 ℃ at 760 mmHg |
Melting Point: | 173-182 ℃ |
Purity: | 95 % |
Density: | 1.401 g/cm3 |
Appearance: | White to tan crystal or powder |
MDL: | MFCD08458728 |
LogP: | 2.29180 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2008259518-A1 | Novel process | 20070604 |
CA-2688463-A1 | Process for the preparation of rizatriptan | 20070604 |
EP-2160390-A1 | Novel process | 20070604 |
US-2010256208-A1 | Novel process | 20070604 |
WO-2008149152-A1 | Novel process | 20070604 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.0672241 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.0672241 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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