1,9-Dichloro-3,7-diazanonane Dihydrochloride - CAS 43203-35-6
Catalog: |
BB068055 |
Product Name: |
1,9-Dichloro-3,7-diazanonane Dihydrochloride |
CAS: |
43203-35-6 |
Synonyms: |
NSC 70806; N,N'-Bis(2-chloroethyl)-1,3-propanediamine Dihydrochloride; N1,N3-Bis(2-chloroethyl)-1,3-propanediamine Hydrochloride |
IUPAC Name: | N,N'-bis(2-chloroethyl)propane-1,3-diaminedihydrochloride |
Description: | 1,9-Dichloro-3,7-diazanonane Dihydrochloride is an intermediate in the synthesis of N,N'-Divinyl-1,3-propanediamine (D494455), an impurity of Cyclophosphamide (C988580). |
Molecular Weight: | 272.04 |
Molecular Formula: | C7H18Cl4N2 |
Canonical SMILES: | C(CNCCCl)CNCCCl.Cl.Cl |
InChI: | InChI=1S/C7H16Cl2N2.2ClH/c8-2-6-10-4-1-5-11-7-3-9/h10-11H,1-7H22*1H |
InChI Key: | JMUCTUYGJRQKJI-UHFFFAOYSA-N |
Melting Point: | >199°C (dec.) |
Solubility: | DMSO (Slightly), Water (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C, Hygroscopic |
References: | Lee, W.W., et al. J. Med. Chem., 6, 567 (1963). |
Complexity: | 63.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.019459 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.022409 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 24.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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