| CAS Number | 51721-22-3 |
| Catalog Number | AG00DG7X(AGN-PC-0OBK4N) |
| Chemical Name | (5-(Tert-Butyl)-1H-Imidazol-4-Yl)Methanol |
| IUPAC Name | (4-tert-butyl-1H-imidazol-5-yl)methanol |
| InChI | InChI=1S/C8H14N2O/c1-8(2,3)7-6(4-11)9-5-10-7/h5,11H,4H2,1-3H3,(H,9,10) |
| InChI Key | DKGPAJORZYZGOY-UHFFFAOYSA-N |
| MDL Number | MFCD24447584 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | CC(C1=C(CO)NC=N1)(C)C |
| Synonyms | 51721-22-3,
(4-tert-butyl-1H-imidazol-5-yl)methanol,
(5-tert-butyl-1H-imidazol-4-yl)methanol,
(5-(tert-butyl)-1H-imidazol-4-yl)methanol,
(5-(tert-butyl)imidazol-4-yl)methanol,
SCHEMBL65026,
SCHEMBL20173509,
DKGPAJORZYZGOY-UHFFFAOYSA-N,
KS-000024ET,
MFCD24447584,
ZINC91294489,
AKOS016028497,
DH-0713,
MCULE-8215040741,
(5-(t-butyl)-1h-imidazol-4-yl)methanol,
(5-tert-butyl-3H-imidazol-4-yl)-methanol,
(4-(tert-butyl)-1H-imidazol-5-yl)methanol,
Z2353492943,
ACN-030359,
(5-tert-Butyl-1H-imidazol-4-yl)-methanol,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 48.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H317-H319
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number