| CAS Number | 883544-22-7 |
| Catalog Number | AG0045A0(AGN-PC-0WB56Z) |
| Chemical Name | 3-(5-Amino-1H-benzimidazol-1-YL)-1-propanol |
| IUPAC Name | 3-(5-aminobenzimidazol-1-yl)propan-1-ol |
| InChI | InChI=1S/C10H13N3O/c11-8-2-3-10-9(6-8)12-7-13(10)4-1-5-14/h2-3,6-7,14H,1,4-5,11H2 |
| InChI Key | YTAHHOGABYQTFD-UHFFFAOYSA-N |
| MDL Number | MFCD08146579 |
| Molecular Formula | C10H13N3O |
| Molecular Weight | 191.2297 |
| SMILES | N1=CN(C2=CC=C(N)C=C12)CCCO |
| Synonyms | 3-(5-AMINO-1H-BENZIMIDAZOL-1-YL)-1-PROPANOL,
883544-22-7,
3-(5-amino-1H-benzimidazol-1-yl)propan-1-ol,
ASN 16161649,
AC1O6PE8,
CTK5F9685,
DTXSID80424705,
ZINC6681876,
BBL036107,
MFCD08146579,
STL495853,
AKOS000104731,
MCULE-8645507052,
AJ-56668,
3-(5-aminobenzimidazol-1-yl)propan-1-ol,
3-(5-Amino-benzoimidazol-1-yl)-propan-1-ol,
3-(5-aminobenzo[d]imidazol-1-yl)propan-1-ol,
Y-3734,
3-(5-amino-1H-1,3-benzodiazol-1-yl)propan-1-ol,
CID6504205,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.234g/mol |
| Monoisotopic Mass | 191.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number