2-[(2-Chloroethyl)amino]ethanol Hydrochloride - CAS 2576-29-6
Catalog: |
BB062605 |
Product Name: |
2-[(2-Chloroethyl)amino]ethanol Hydrochloride |
CAS: |
2576-29-6 |
Synonyms: |
2-(Chloroethyl)-2-hydroxyethylamine Hydrochloride |
IUPAC Name: | 2-(2-chloroethylamino)ethanolhydrochloride |
Description: | 2-[(2-Chloroethyl)amino]ethanol is used to prepare phosphoramide mustard hydrolysis product. |
Molecular Weight: | 123.58 |
Molecular Formula: | C4H10ClNO |
Canonical SMILES: | C(CO)NCCCl.Cl |
InChI: | InChI=1S/C4H10ClNO.ClH/c5-1-2-6-3-4-7/h6-7H,1-4H21H |
InChI Key: | HFPDWZDOAAAUSY-UHFFFAOYSA-N |
References: | Watson, E., et al. J. Pharm. Sci., 74, 1283 (1985). |
Complexity: | 34.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.0217694 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.0217694 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 32.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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