Anagrelide USP Related Compound A - CAS 70406-92-7
Catalog:
BB042414
Product Name:
Anagrelide USP Related Compound A
CAS:
70406-92-7
Synonyms:
Ethyl 2-(6-amino-2,3-dichlorobenzylamino)acetate; Anagrelide hydrochloride USP Related Compound A; Glycine, N-[(6-amino-2,3-dichlorophenyl)methyl]-, ethyl ester; Anagrelide Related Compound A; N-[(6-Amino-2,3-dichlorophenyl)methyl]glycine ethyl ester; USP Anagrelide Related Impurity A; Ethyl N-(2,3-dichloro-6-aminobenzyl)glcycine; Ethyl (2-amino-5,6-dichlorobenzyl)aminoacetate; Ethyl N-(6-amino-2,3-dichlorobenzyl)glycine; N-(6-Amino-2,3-dichlorobenzyl)glycine ethyl ester
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BB042414
1 g
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Related CAS: 85325-12-8 (x-hydrochloride) 2512201-53-3 (monohydrochloride) 882301-57-7 (dihydrochloride)
IUPAC Name: ethyl 2-[(6-amino-2,3-dichlorophenyl)methylamino]acetate
Description: An impurity of Anagrelide, a medication used to treat essential thrombocytosis or overproduction of blood platelets.
Molecular Weight: 277.15
Molecular Formula: C11H14Cl2N2O2
Canonical SMILES: CCOC(=O)CNCC1=C(C=CC(=C1Cl)Cl)N
InChI: InChI=1S/C11H14Cl2N2O2/c1-2-17-10(16)6-15-5-7-9(14)4-3-8(12)11(7)13/h3-4,15H,2,5-6,14H2,1H3
InChI Key: GXKCDDOGWWCMAO-UHFFFAOYSA-N
Boiling Point: 402.4±45.0 °C at 760 mmHg
Purity: ≥95%
Density: 1.318±0.06 g/cm3
Appearance: Off-white solid
Storage: Store at 2-8 °C, protect from light
GHS Hazard Statement: H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]; H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement: P203, P261, P272, P280, P281, P302+P352, P318, P321, P333+P313, P362+P364, P405, and P501
Signal Word: Warning
Complexity: 254
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 276.0432331
Formal Charge: 0
Heavy Atom Count: 17
Hydrogen Bond Acceptor Count: 4
Hydrogen Bond Donor Count: 2
Isotope Atom Count: 0
Monoisotopic Mass: 276.0432331
Rotatable Bond Count: 6
Topological Polar Surface Area: 64.4
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 2.7
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