3D Mol Similar

4-AMino-2-Methyl butane-2-ol

: Iupac Name：4-amino-2-methylbutan-2-ol; CAS No.: 26734-08-7; Molecular Weight：103.16; Modify Date.: 2026-04-01 23:01

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1. Names and Identifiers

: 1.1 Name; 4-AMino-2-Methyl butane-2-ol; 1.2 Synonyms; 2-Butanol, 4-amino-2-methyl-3-Hydroxy-3-methylbutylamine, 4-Amino-2-hydroxy-2-methylbutane4-AMino-2-Methyl butane-2-ol4-Amino-2-methyl-2-butanol5-Cyanothiophene-2-boronic acid MIDA ester

1.3 CAS No.: 26734-08-7

1.4 CID: 15649173

1.5 Molecular Formula: C5H13NO (isomer)

1.6 Inchi: InChI=1S/C5H13NO/c1-5(2,7)3-4-6/h7H,3-4,6H2,1-2H3

1.7 InChIkey: PUSZHIWAFZLOMD-UHFFFAOYSA-N

1.8 Canonical Smiles: CC(C)(CCN)O

1.9 Isomers Smiles: CC(C)(CCN)O

2. Properties

2.1 Density: 0.918±0.06 g/cm3(Predicted)

2.1 Melting point: 216-218°C

2.1 Boiling point: 71.5 °C(Press: 10 Torr)

2.1 Refractive index: 1.451

2.1 Flash Point: 62.1±19.8 °C

2.1 Precise Quality: 103.10000

2.1 PSA: 46.25000

2.1 logP: 0.80640

2.1 pKa: 15.08±0.29(Predicted)

2.2 StorageTemp: 2-8°C(protect from light)

3. Safety and Handling

3.1 Hazard Declaration: H302

3.1 RIDADR: 2735

3.1 Caution Statement: P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, P501

3.1 WGK Germany: 3

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Skin corrosion, Category 1B

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H302 Harmful if swallowed H314 Causes severe skin burns and eye damage
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P260 Do not breathe dust/fume/gas/mist/vapours/spray. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P363 Wash contaminated clothing before reuse. P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing. P310 Immediately call a POISON CENTER/doctor/\u2026 P321 Specific treatment (see ... on this label). P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
Storage	P405 Store locked up.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

6. Other Information

6.0 Uses: 4-Amino-2-methyl-2-butanol is a reagent used in pharmaceutical synthesis such as tyrosine kinase 3 (FLT3) inhibitors based on 5-aryl-2-aminopyridines.

6.1 Synthesis Reference(s): Journal of the American Chemical Society, 115, p. 7250, 1993 DOI: 10.1021/ja00069a025

6.2 General Description: Tech Spotlight

7. Computational chemical data

Molecular Weight: 103.16g/mol
Molecular Formula: C₅H₁₃NO
Compound Is Canonicalized: True
XLogP3-AA: -0.4
Exact Mass: 103.099714038
Monoisotopic Mass: 103.099714038
Complexity: 52
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 46.2
Heavy Atom Count: 7
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccBiIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADETBgAQCAABAAgAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAgAAAQAACEAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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4-AMino-2-Methyl butane-2-ol

Purity:99%Packing: 200kg/bag FOB
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Time: 2026/09/22

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4-Amino-2-methyl butane-2-ol