3-Aminoadamantan-1-ol - CAS 702-82-9
Catalog: |
BB034121 |
Product Name: |
3-Aminoadamantan-1-ol |
CAS: |
702-82-9 |
Synonyms: |
3-Amino-1-hydroxyadamantane; 1-Amino-3-adamantanol; Tricyclo[3.3.1.13,7]decan-1-ol, 3-amino-; 1-Adamantanol, 3-amino-; 3-Aminotricyclo[3.3.1.13,7]decan-1-ol; (3-Hydroxyadamantan-1-yl)amine; 1-Amino-3-hydroxyadamantane; 3-Amino-1-adamantanol |
IUPAC Name: | 3-aminoadamantan-1-ol |
Description: | An impurity of Vildagliptin. Vildagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor that is used as an anti-hyperglycemic agent. Vildagliptin could reduce hyperglycemia in type 2 diabetes mellitus via the suppressive effect of inactivation of GLP-1 and GIP by DPP-4. |
Molecular Weight: | 167.25 |
Molecular Formula: | C10H17NO |
Canonical SMILES: | C1C2CC3(CC1CC(C2)(C3)O)N |
InChI: | InChI=1S/C10H17NO/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8,12H,1-6,11H2 |
InChI Key: | DWPIPTNBOVJYAD-UHFFFAOYSA-N |
Boiling Point: | 266.8±23.0°C at 760 mmHg |
Melting Point: | 267°C |
Purity: | ≥95% |
Density: | 1.252±0.06 g/cm3 |
Solubility: | Soluble in DMSO (Sparingly), Methanol (Slightly) |
Appearance: | White to Off-white Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD01821204 |
LogP: | 1.72910 |
GHS Hazard Statement: | H302 (10.42%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461551-A | 3-amino-1-adamantanol and preparation method and application thereof | 20210701 |
CN-113372190-A | Method for preparing 1, 3-adamantanediol from 3-amino-1-adamantanol | 20210608 |
CN-112661629-A | All-organic pyroelectric material and preparation method and application thereof | 20201224 |
CN-112552192-A | Preparation method of 3-amino-1-adamantanol | 20201214 |
CN-112679406-A | Continuous preparation method of vildagliptin | 20201214 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.131014166 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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