3-Amino-adamantanol

CAS Number: 702-82-9

Molecular Formula: C10H17NO

Purity: 99% 3-Amino-adamantanol

About 3-Amino-adamantanol

3-Amino-1-adamantanol (CAS No: 702-82-9) is a premier 1,3-disubstituted adamantane building block essential to the North American specialty chemicals industry, primarily utilized as a high-purity intermediate for synthesizing dipeptidyl peptidase-4 (DPP-4) inhibitors like Vildagliptin for type 2 diabetes therapies. The...

3-Amino-adamantanol Specifications

CAS Number

702-82-9

Molecular Formula

C10H17NO

Molecular Weight

167.25 g/mol

IUPAC Name

3-aminoadamantan-1-ol

Canonical SMILES

C1C2CC3(CC1CC(C2)(C3)O)N

InChI Key

DWPIPTNBOVJYAD-UHFFFAOYSA-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

PubChem CID

658645

EINECS Number

615-098-6

MDL Number

MFCD01821204

HSN No

29221990

CAS Number

702-82-9

Molecular Formula

C10H17NO

Molecular Weight

167.25 g/mol

IUPAC Name

3-aminoadamantan-1-ol

Canonical SMILES

C1C2CC3(CC1CC(C2)(C3)O)N

InChI Key

DWPIPTNBOVJYAD-UHFFFAOYSA-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

PubChem CID

658645

EINECS Number

615-098-6

MDL Number

MFCD01821204

HSN No

29221990

Molecular Weight

167.25 g/mol

Purity

99% 3-Amino-adamantanol

Melting Point

265 °C (dec.) (lit.)

Boiling Point

266.8 °C at 760 mmHg

Flash Point

110 °C

Density

1.252 g/cm3

pKa

15.07±0.40 (Predicted)

Precise Quality

98.0% (GC)(T)

PSA

46.3 Å²

logP

0.96

Precautionary Statement Codes

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

Acute Tox. 4 (10%) Skin Irrit. 2 (100%)

Pharmaceutical Intermediate

A key intermediate in the synthesis of Vildagliptin, a dipeptidyl peptidase-4 (DPP-4) inhibitor used for the treatment of type 2 diabetes

Chemical Reagent

A reagent employed in the synthesis of various adamantane-based inhibitors with antihyperglycemic, antiviral, and central nervous system (CNS) properties

Building Block

A rigid three-dimensional scaffold used in the production of functional polymer materials, catalysts, and surfactants within fine chemical manufacturing