4,6-dimethylpyrimidine-5-carboxylic acid - CAS 157335-93-8
Catalog: |
BB011312 |
Product Name: |
4,6-dimethylpyrimidine-5-carboxylic acid |
CAS: |
157335-93-8 |
Synonyms: |
4,6-dimethyl-5-pyrimidinecarboxylic acid; 4,6-dimethylpyrimidine-5-carboxylic acid |
IUPAC Name: | 4,6-dimethylpyrimidine-5-carboxylic acid |
Description: | 4,6-dimethylpyrimidine-5-carboxylic acid (CAS# 157335-93-8) is a useful research chemical. |
Molecular Weight: | 152.15 |
Molecular Formula: | C7H8N2O2 |
Canonical SMILES: | CC1=C(C(=NC=N1)C)C(=O)O |
InChI: | InChI=1S/C7H8N2O2/c1-4-6(7(10)11)5(2)9-3-8-4/h3H,1-2H3,(H,10,11) |
InChI Key: | SBJRXHBKPCHGQY-UHFFFAOYSA-N |
Boiling Point: | 319.7 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.257 g/cm3 |
MDL: | MFCD07787545 |
LogP: | 0.79160 |
GHS Hazard Statement: | H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020109141-A1 | Amino acid compounds and methods of use | 20181008 |
WO-2020076862-A1 | Amino acid compounds and methods of use | 20181008 |
TW-202028179-A | Amino acid compounds and methods of use | 20181008 |
CN-113195053-A | Amino acid compounds and methods of use | 20181008 |
EP-3863711-A1 | Amino acid compounds and methods of use | 20181008 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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