Molecule structure of (+-)-1-Amino-3-chloro-2-propanol hydrochloride (CAS NO.34839-12-8) :
IUPAC Name: 1-amino-3-chloropropan-2-ol hydrochloride
Molecular Weight: 146.01566 g/mol
Molecular Formula: C3H9Cl2NO
Boiling Point: 240.2 °C at 760 mmHg
Flash Point: 99.1 °C
Enthalpy of Vaporization: 55.45 kJ/mol
Vapour Pressure: 0.0067 mmHg at 25 °C
H-Bond Donor: 3
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Exact Mass: 145.006119
MonoIsotopic Mass: 145.006119
Topological Polar Surface Area: 46.3
Heavy Atom Count: 7
Complexity: 34
Canonical SMILES: C(C(CCl)O)N.Cl
InChI: InChI=1S/C3H8ClNO.ClH/c4-1-3(6)2-5;/h3,6H,1-2,5H2;1H
InChIKey of (+-)-1-Amino-3-chloro-2-propanol hydrochloride (CAS NO.34839-12-8) : ZCPJBHYNOFIAPJ-UHFFFAOYSA-N
1. | orl-rat LD50:165 mg/kg | CCPTAY Contraception. 9 (1974),451. |
EPA Genetic Toxicology Program.
Poison by ingestion. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of Cl− and NOx.
(+-)-1-Amino-3-chloro-2-propanol hydrochloride (CAS NO.34839-12-8) is also called 2-Propanol, 1-amino-3-chloro-, hydrochloride, (+-)- .
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