1-[4-(Aminomethyl)phenyl]-1,3-dihydro-2H-benzimidazol-2-one - CAS 1369032-56-3
Catalog: |
BB074382 |
Product Name: |
1-[4-(Aminomethyl)phenyl]-1,3-dihydro-2H-benzimidazol-2-one |
CAS: |
1369032-56-3 |
Synonyms: |
1-[4-(aminomethyl)phenyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one; 3-[4-(aminomethyl)phenyl]-1H-benzimidazol-2-one; 1-(4-(Aminomethyl)phenyl)-1,3-dihydro-2H-benzo[d]imidazol-2-one |
IUPAC Name: | 3-[4-(aminomethyl)phenyl]-1H-benzimidazol-2-one |
Molecular Weight: | 239.27 |
Molecular Formula: | C14H13N3O |
Canonical SMILES: | C1=CC=C2C(=C1)NC(=O)N2C3=CC=C(C=C3)CN |
InChI: | InChI=1S/C14H13N3O/c15-9-10-5-7-11(8-6-10)17-13-4-2-1-3-12(13)16-14(17)18/h1-8H,9,15H2,(H,16,18) |
InChI Key: | IXCCWLLJEJGINF-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: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.105862047 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.105862047 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 58.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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