4-(1H-1,2,4-Triazol-1-ylmethyl)aniline - CAS 119192-10-8
Catalog: |
BB004429 |
Product Name: |
4-(1H-1,2,4-Triazol-1-ylmethyl)aniline |
CAS: |
119192-10-8 |
Synonyms: |
4-(1,2,4-triazol-1-ylmethyl)aniline; 4-(1,2,4-triazol-1-ylmethyl)aniline |
IUPAC Name: | 4-(1,2,4-triazol-1-ylmethyl)aniline |
Description: | 4-(1H-1,2,4-Triazol-1-ylmethyl)aniline (CAS# 119192-10-8) is an intermediate useful in organic synthesis and other chemical processes. |
Molecular Weight: | 174.20 |
Molecular Formula: | C9H10N4 |
Canonical SMILES: | C1=CC(=CC=C1CN2C=NC=N2)N |
InChI: | InChI=1S/C9H10N4/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5,10H2 |
InChI Key: | ZGLQVRIVLWGDNA-UHFFFAOYSA-N |
Boiling Point: | 402.1 °C at 760 mmHg |
Purity: | 98.0% |
Density: | 1.26 g/cm3 |
MDL: | MFCD00973306 |
LogP: | 1.48980 |
GHS Hazard Statement: | H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P272, P280, P301+P312, P302+P352, P314, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Danger |
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Complexity: | 154 |
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: | 0.2 |
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