2-(Chloromethyl)-4,5-dihydroimidazole Hydrochloride - CAS 13338-49-3
Catalog: |
BB007744 |
Product Name: |
2-(Chloromethyl)-4,5-dihydroimidazole Hydrochloride |
CAS: |
13338-49-3 |
Synonyms: |
2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride; 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride |
IUPAC Name: | 2-(chloromethyl)-4,5-dihydro-1H-imidazole;hydrochloride |
Description: | 2-(Chloromethyl)-4,5-dihydroimidazole Hydrochloride (CAS# 13338-49-3) is used in preparation of disubstituted 1,2,4-triazines and their use for pharmaceutical compound and prevention/treatment of diseases or symptoms involving aldosterone. |
Molecular Weight: | 155.03 |
Molecular Formula: | C4H8Cl2N2 |
Canonical SMILES: | C1CN=C(N1)CCl.Cl |
InChI: | InChI=1S/C4H7ClN2.ClH/c5-3-4-6-1-2-7-4;/h1-3H2,(H,6,7);1H |
InChI Key: | GHCCHMFFNHOXEU-UHFFFAOYSA-N |
Boiling Point: | 258.4 °C at 760 mmHg |
MDL: | MFCD04115823 |
LogP: | 0.79330 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
1032127 | 19761201 | Comparison of guinea pig sensitization methods | Contact dermatitis |
Complexity: | 89.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0064537 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0064537 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 24.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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