C-(3-Propyl-isoxazol-5-yl)-methylamine hydrochloride - CAS 1185300-37-1
Catalog: |
BB052897 |
Product Name: |
C-(3-Propyl-isoxazol-5-yl)-methylamine hydrochloride |
CAS: |
1185300-37-1 |
Synonyms: |
C-(3-Propyl-isoxazol-5-yl)-methylaminehydrochloride |
IUPAC Name: | (3-propyl-1,2-oxazol-5-yl)methanamine;hydrochloride |
Molecular Weight: | 176.64 |
Molecular Formula: | C7H13ClN2O |
Canonical SMILES: | CCCC1=NOC(=C1)CN.Cl |
InChI: | InChI=1S/C7H12N2O.ClH/c1-2-3-6-4-7(5-8)10-9-6;/h4H,2-3,5,8H2,1H3;1H |
InChI Key: | REFODIGHPMZEFH-UHFFFAOYSA-N |
Purity: | 95% |
GHS Hazard Statement: | 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 97.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.0716407 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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