4-Methoxy-3-methylaniline - CAS 136-90-3
Catalog: |
BB008470 |
Product Name: |
4-Methoxy-3-methylaniline |
CAS: |
136-90-3 |
Synonyms: |
4-methoxy-3-methylaniline |
IUPAC Name: | 4-methoxy-3-methylaniline |
Description: | 4-Methoxy-3-methylaniline (CAS# 136-90-3) is used in preparation of triamine pyrimidine derivatives as antitumor agents. |
Molecular Weight: | 137.18 |
Molecular Formula: | C8H11NO |
Canonical SMILES: | CC1=C(C=CC(=C1)N)OC |
InChI: | InChI=1S/C8H11NO/c1-6-5-7(9)3-4-8(6)10-2/h3-5H,9H2,1-2H3 |
InChI Key: | NFWPZNNZUCPLAX-UHFFFAOYSA-N |
Boiling Point: | 240.4 °C at 760 mmHg |
Melting Point: | 57-60 °C |
Purity: | 95 % |
Density: | 1.039 g/cm3 |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
MDL: | MFCD07779234 |
LogP: | 2.16700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 137.084063974 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 137.084063974 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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