2-Amino-5-pyrrolidinobenzoic Acid - CAS 159526-21-3
Catalog: |
BB011542 |
Product Name: |
2-Amino-5-pyrrolidinobenzoic Acid |
CAS: |
159526-21-3 |
Synonyms: |
2-amino-5-(1-pyrrolidinyl)benzoic acid; 2-amino-5-pyrrolidin-1-ylbenzoic acid |
IUPAC Name: | 2-amino-5-pyrrolidin-1-ylbenzoic acid |
Description: | 2-Amino-5-pyrrolidinobenzoic Acid (CAS# 159526-21-3) is a useful research chemical. |
Molecular Weight: | 206.24 |
Molecular Formula: | C11H14N2O2 |
Canonical SMILES: | C1CCN(C1)C2=CC(=C(C=C2)N)C(=O)O |
InChI: | InChI=1S/C11H14N2O2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2,(H,14,15) |
InChI Key: | PXDJWGTVWILAIK-UHFFFAOYSA-N |
LogP: | 2.60230 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2012293329-A1 | Quinazoline-2,4-dione derivatives | 20110811 |
CA-2842885-A1 | Quinazoline-2,4-dione derivatives | 20110811 |
CN-103732593-A | Quinazoline-2,4-dione derivatives | 20110811 |
EP-2742042-A1 | Quinazoline-2,4-dione derivatives | 20110811 |
KR-20140054057-A | Quinazoline-2,4-dione derivative | 20110811 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.105527694 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 66.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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