1-(3-Chloroallyl)-3,5,7-Triaza-1-Azoniaadamantane chloride(4080-31-3) is also named as methenamine 3-chloroallylochloride;Hexamethylenetetraminechloroallylchloride;3,5,7-Triaza-1-azoniatricyclo3.3.1.13,7decane, 1-(3-chloro-2-propenyl)-, chloride;N-(3-Chloroallyl)hexaminium chloride,and so on.1-(3-Chloroallyl)-3,5,7-Triaza-1-Azoniaadamantane chloride(4080-31-3) is white or off-white powder.
CAS: 4080-31-3
Molecular Formula: C9H16Cl2N4
Molecular Weight: 251.16
Molecular structure:
EINECS: 223-805-0
Topological Polar Surface Area: 9.7
Heavy Atom Count: 15
Formal Charge: 0
Complexity: 224
Isotope Atom Count: 0
Defined Atom StereoCenter Count: 0
Undefined Atom StereoCenter Count: 0
Defined Bond StereoCenter Count: 1
Undefined Bond StereoCenter Count: 0
Covalently-Bonded Unit Count: 2
1. | skn-rbt 500 mg/24H MLD | JACTDZ Journal of the American College of Toxicology. 5 (3)(1986),61. | ||
2. | mma-sat 333 µg/plate | EMMUEG Environmental and Molecular Mutagenesis. 11 (Suppl 12)(1988),1. | ||
3. | orl-rat LD50:500 mg/kg | PCOC** Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.Topeka, KS.: 1966,455. | ||
4. | orl-rbt LD50:78,500 µg/kg | JACTDZ Journal of the American College of Toxicology. 5 (3)(1986),61. | ||
5. | skn-rbt LD50:565 mg/kg | JACTDZ Journal of the American College of Toxicology. 5 (3)(1986),61. |
RTECS: XX8450000
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