(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)methanamine - CAS 1184589-25-0
Catalog: |
BB051267 |
Product Name: |
(4-(1-Methyl-1H-pyrazol-4-yl)phenyl)methanamine |
CAS: |
1184589-25-0 |
Synonyms: |
Benzenemethanamine, 4-(1-methyl-1H-pyrazol-4-yl)-; 1-[4-(1-Methyl-1H-pyrazol-4-yl)phenyl]methanamine |
IUPAC Name: | [4-(1-methylpyrazol-4-yl)phenyl]methanamine |
Molecular Weight: | 187.24 |
Molecular Formula: | C11H13N3 |
Canonical SMILES: | CN1C=C(C=N1)C2=CC=C(C=C2)CN |
InChI: | InChI=1S/C11H13N3/c1-14-8-11(7-13-14)10-4-2-9(6-12)3-5-10/h2-5,7-8H,6,12H2,1H3 |
InChI Key: | PSOAJXIUSYFYLP-UHFFFAOYSA-N |
Boiling Point: | 329.0±52.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 1.2±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.110947427 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.110947427 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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Related Functional Groups
Amines and Anilines
Pyrazoles
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