| CAS Number | 226930-88-7 |
| Catalog Number | AG006X0N(AGN-PC-00E4UM) |
| Chemical Name | (1-Isobutyl-1H-imidazol-5-yl)methanol |
| IUPAC Name | [3-(2-methylpropyl)imidazol-4-yl]methanol |
| InChI | InChI=1S/C8H14N2O/c1-7(2)4-10-6-9-3-8(10)5-11/h3,6-7,11H,4-5H2,1-2H3 |
| InChI Key | QHLQRYOQMUYPSS-UHFFFAOYSA-N |
| MDL Number | MFCD08060034 |
| Molecular Formula | C8H14N2O |
| Molecular Weight | 154.2096 |
| SMILES | N1(CC(C)C)C=NC=C1CO |
| Synonyms | (1-Isobutyl-1H-imidazol-5-yl)methanol,
226930-88-7,
SCHEMBL5654439,
CTK4E9956,
DTXSID60470583,
QHLQRYOQMUYPSS-UHFFFAOYSA-N,
CHEMBRDG-BB 4016574,
5-hydroxymethyl-1-isobutylimidazole,
MFCD08060034,
ZINC12382421,
AKOS006343730,
AJ-61997,
DA-18460,
FT-0724041,
Y-3569,
[1-(2-methylpropyl)-1H-imidazol-5-yl]methanol,
(1-Isobutyl-1H-imidazol-5-yl)methanol, AldrichCPR,
CID11686942,
[3-(2-methylpropyl)imidazol-4-yl]methanol,
|
| Complexity | 117 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.213g/mol |
| Monoisotopic Mass | 154.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
|
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Hazard statements
|
H319
|
|
Packing Group
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\N
|
|
Precautionary statements
|
P305+P351+P338
|
|
UN Code
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\N
|
Certificate of Analysis
Lot Number