5-(Aminomethyl)furan-2-carboxylic Acid Hydrochloride - CAS 51521-95-0
Catalog: |
BB074396 |
Product Name: |
5-(Aminomethyl)furan-2-carboxylic Acid Hydrochloride |
CAS: |
51521-95-0 |
Synonyms: |
5-(aminomethyl)furan-2-carboxylic acid hydrochloride; 5-(Aminomethyl)-2-furoic acid hydrochloride; 5-(aminomethyl)furan-2-carboxylic acid; hydrochloride |
IUPAC Name: | 5-(aminomethyl)furan-2-carboxylic acidhydrochloride |
Molecular Weight: | 141.13 + (36.46) |
Molecular Formula: | C6H7NO3·HCl |
Canonical SMILES: | C1=C(OC(=C1)C(=O)O)CN.Cl |
InChI: | InChI=1S/C6H7NO3.ClH/c7-3-4-1-2-5(10-4)6(8)9/h1-2H,3,7H2,(H,8,9)1H |
InChI Key: | VZBDETJVJSTWPP-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
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 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.0192708 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.0192708 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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