N-(4-(Aminomethyl)phenyl)benzo[d]isoxazol-3-amine Hydrochloride - CAS 1184997-37-2
Catalog: |
BB061488 |
Product Name: |
N-(4-(Aminomethyl)phenyl)benzo[d]isoxazol-3-amine Hydrochloride |
CAS: |
1184997-37-2 |
Synonyms: |
N-(4-(AMINOMETHYL)PHENYL)BENZO[D]ISOXAZOL-3-AMINE HCL; N-(4-(AMINOMETHYL)PHENYL)BENZO[D]ISOXAZOL-3-AMINE HYDROCHLORIDE; N-[4-(aminomethyl)phenyl]-1,2-benzoxazol-3-amine; hydrochloride; N-(4-(Aminomethyl)phenyl)benzo[d]isoxazol-3-aminehydrochloride |
IUPAC Name: | N-[4-(aminomethyl)phenyl]-1,2-benzoxazol-3-aminehydrochloride |
Molecular Weight: | 275.73 |
Molecular Formula: | C14H13N3O·HCl |
Canonical SMILES: | C1=CC=C2C(=C1)C(=NO2)NC3=CC=C(C=C3)CN.Cl |
InChI: | InChI=1S/C14H13N3O.ClH/c15-9-10-5-7-11(8-6-10)16-14-12-3-1-2-4-13(12)18-17-14/h1-8H,9,15H2,(H,16,17)1H |
InChI Key: | VSTINLFIPODXAR-UHFFFAOYSA-N |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.0825398 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.0825398 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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