| CAS Number | 1224322-32-0 |
| Catalog Number | AG01C5OO |
| Chemical Name | (5-amino-1-butyl-1H-1,3-benzodiazol-2-yl)methanol |
| IUPAC Name | (5-amino-1-butylbenzimidazol-2-yl)methanol |
| InChI | InChI=1S/C12H17N3O/c1-2-3-6-15-11-5-4-9(13)7-10(11)14-12(15)8-16/h4-5,7,16H,2-3,6,8,13H2,1H3 |
| InChI Key | XVXZCMJXNFLJMC-UHFFFAOYSA-N |
| MDL Number | MFCD16090143 |
| Molecular Formula | C12H17N3O |
| Molecular Weight | 219.2829 |
| SMILES | CCCCN1C2=C(C=C(C=C2)N)N=C1CO |
| Synonyms | (5-amino-1-butyl-1H-1,3-benzodiazol-2-yl)methanol,
1224322-32-0,
(5-amino-1-butyl-1H-benzimidazol-2-yl)methanol,
BBL012721,
STK977926,
ZINC40162964,
AKOS005647084,
MCULE-5576262299,
VS-03478,
Z2465619858,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.137162g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.28g/mol |
| Monoisotopic Mass | 219.137162g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number