2-amino-isophthalic acid monomethyl ester - CAS 253120-47-7
Catalog: |
BB018853 |
Product Name: |
2-amino-isophthalic acid monomethyl ester |
CAS: |
253120-47-7 |
Synonyms: |
2-amino-3-methoxycarbonylbenzoic acid; 2-amino-3-methoxycarbonylbenzoic acid |
IUPAC Name: | 2-amino-3-methoxycarbonylbenzoic acid |
Description: | 2-amino-isophthalic acid monomethyl ester (CAS# 253120-47-7) is a useful research chemical. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | COC(=O)C1=CC=CC(=C1N)C(=O)O |
InChI: | InChI=1S/C9H9NO4/c1-14-9(13)6-4-2-3-5(7(6)10)8(11)12/h2-4H,10H2,1H3,(H,11,12) |
InChI Key: | UXQCFHRNRAGKOY-UHFFFAOYSA-N |
Boiling Point: | 370.4 °C at 760 mmHg |
Melting Point: | 160 °C |
Purity: | 95 % |
Density: | 1.373 g/cm3 |
MDL: | MFCD06200897 |
LogP: | 1.33480 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3619205-A1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
TW-201906834-A | Inhibitor of human immunodeficiency virus replication | 20170502 |
WO-2018203235-A1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
JP-2020518601-A | Inhibitors of human immunodeficiency virus replication | 20170502 |
US-10954252-B1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 89.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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