2-Amino-3-methylphenol - CAS 2835-97-4
Catalog: |
BB019828 |
Product Name: |
2-Amino-3-methylphenol |
CAS: |
2835-97-4 |
Synonyms: |
2-amino-3-methylphenol |
IUPAC Name: | 2-amino-3-methylphenol |
Description: | 2-Amino-3-methylphenol (CAS# 2835-97-4) is a reactant used in the preparation of benzooxazinonyl-propanoates as antimicrobials. |
Molecular Weight: | 123.15 |
Molecular Formula: | C7H9NO |
Canonical SMILES: | CC1=C(C(=CC=C1)O)N |
InChI: | InChI=1S/C7H9NO/c1-5-3-2-4-6(9)7(5)8/h2-4,9H,8H2,1H3 |
InChI Key: | FEDLEBCVFZMHBP-UHFFFAOYSA-N |
Boiling Point: | 240 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.157 g/cm3 |
MDL: | MFCD00075082 |
LogP: | 1.86400 |
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 |
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PMID | Publication Date | Title | Journal |
8892823 | 19961101 | 2-aminophenol 1,6-dioxygenase: a novel aromatic ring cleavage enzyme purified from Pseudomonas pseudoalcaligenes JS45 | Journal of bacteriology |
8784451 | 19960830 | Synthesis and evaluation of 2-[(5-methylbenz-1-ox-4-azin-6-yl)imino]imidazoline, a potent, peripherally acting alpha 2 adrenoceptor agonist | Journal of medicinal chemistry |
Complexity: | 94.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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