| CAS Number | 1638767-26-6 |
| Catalog Number | AG00ILG7(AGN-PC-0WD7Y4) |
| Chemical Name | {3-Aminobicyclo[1.1.1]pentan-1-yl}methanol |
| IUPAC Name | (3-amino-1-bicyclo[1.1.1]pentanyl)methanol |
| InChI | InChI=1S/C6H11NO/c7-6-1-5(2-6,3-6)4-8/h8H,1-4,7H2 |
| InChI Key | UHSSZVLSEAEFTI-UHFFFAOYSA-N |
| MDL Number | MFCD27664959 |
| Molecular Formula | C6H11NO |
| Molecular Weight | 113.1576 |
| SMILES | NC12CC(C1)(C2)CO |
| Synonyms | {3-aminobicyclo[1.1.1]pentan-1-yl}methanol,
1638767-26-6,
{3-Aminobicyclo[1.1.1]pentan-1-ylmethanol,
SCHEMBL19766528,
MFCD27664959,
AKOS030238060,
ZINC238609755,
SB13287,
AS-53840,
CS-0052956,
(3-Aminobicyclo[1.1.1]pentan-1-yl)methanol hydrochloride,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.16g/mol |
| Monoisotopic Mass | 113.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
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