4-Amino-5-methylimidazole Dihydrochloride - CAS 79681-02-0
Catalog: |
BB036396 |
Product Name: |
4-Amino-5-methylimidazole Dihydrochloride |
CAS: |
79681-02-0 |
Synonyms: |
5-methyl-1H-imidazol-4-amine;dihydrochloride; 5-methyl-1H-imidazol-4-amine;dihydrochloride |
IUPAC Name: | 5-methyl-1H-imidazol-4-amine;dihydrochloride |
Description: | 4-Amino-5-methylimidazole Dihydrochloride (CAS# 79681-02-0) is a useful research chemical. |
Molecular Weight: | 170.04 |
Molecular Formula: | C4H9Cl2N3 |
Canonical SMILES: | CC1=C(N=CN1)N.Cl.Cl |
InChI: | InChI=1S/C4H7N3.2ClH/c1-3-4(5)7-2-6-3;;/h2H,5H2,1H3,(H,6,7);2*1H |
InChI Key: | WHBHETKRJOEQIG-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 2.48550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021002286-A1 | Imidazotetrazine compounds | 20180809 |
CN-113271939-A | Imidazole tetrazine compounds | 20180809 |
KR-20210042941-A | Imidazotetrazine compound | 20180809 |
US-2021315886-A1 | Imidazotetrazine compounds | 20180809 |
Complexity: | 64 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.0173527 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.0173527 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 54.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Amines and Anilines
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