Cas no 27159-33-7 (1-(benzylamino)butan-2-ol)
1-(Benzylamino)butan-2-ol is a chiral amino alcohol compound featuring both hydroxyl and benzylamino functional groups. Its structure makes it a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and fine chemicals. The presence of both amine and alcohol moieties allows for selective functionalization, enabling applications in asymmetric synthesis and catalysis. The benzyl group offers additional stability and reactivity control, facilitating further derivatization. This compound is typically used in research settings for developing bioactive molecules, including potential drug candidates. Its well-defined stereochemistry also makes it valuable for studying enantioselective reactions. Proper handling under inert conditions is recommended due to its sensitivity to oxidation.
1-(benzylamino)butan-2-ol structure
Product Name:1-(benzylamino)butan-2-ol
CAS No:27159-33-7
MF:C11H17NO
MW:179.258783102036
CID:1431688
PubChem ID:13163458
Update Time:2025-10-20
1-(benzylamino)butan-2-ol Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanol, 1-[(phenylmethyl)amino]-
- 1-(benzylamino)butan-2-ol
- DTXSID201300936
- CHEMBL4554507
- XHIGQRPMBZIQLS-UHFFFAOYSA-N
- CBA15933
- G53153
- AKOS010107282
- EN300-113791
- Z600449726
- 27159-33-7
- DB-362946
- 1-[(Phenylmethyl)amino]-2-butanol
- SCHEMBL2305792
- 1-Benzylamino-butan-2-ol
-
- Inchi： 1S/C11H17NO/c1-2-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3
- InChI Key： XHIGQRPMBZIQLS-UHFFFAOYSA-N
- SMILES： OC(CC)CNCC1C=CC=CC=1
Computed Properties
- Exact Mass: 179.13111
- Monoisotopic Mass: 179.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 121
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- Density: 1.0±0.1 g/cm3
- Boiling Point: 307.5±17.0 °C at 760 mmHg
- Flash Point: 114.8±11.6 °C
- PSA: 32.26
- Vapor Pressure: 0.0±0.7 mmHg at 25°C
1-(benzylamino)butan-2-ol Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
1-(benzylamino)butan-2-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B411848-10mg |
1-(benzylamino)butan-2-ol |
27159-33-7 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B411848-50mg |
1-(benzylamino)butan-2-ol |
27159-33-7 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B411848-100mg |
1-(benzylamino)butan-2-ol |
27159-33-7 | 100mg |
$ 230.00 | 2022-06-07 | ||
| Enamine | EN300-113791-0.05g |
1-(benzylamino)butan-2-ol |
27159-33-7 | 95.0% | 0.05g |
$101.0 | 2025-03-21 | |
| Enamine | EN300-113791-0.1g |
1-(benzylamino)butan-2-ol |
27159-33-7 | 95.0% | 0.1g |
$152.0 | 2025-03-21 | |
| Enamine | EN300-113791-0.25g |
1-(benzylamino)butan-2-ol |
27159-33-7 | 95.0% | 0.25g |
$216.0 | 2025-03-21 | |
| Enamine | EN300-113791-0.5g |
1-(benzylamino)butan-2-ol |
27159-33-7 | 95.0% | 0.5g |
$407.0 | 2025-03-21 | |
| Enamine | EN300-113791-1.0g |
1-(benzylamino)butan-2-ol |
27159-33-7 | 95.0% | 1.0g |
$528.0 | 2025-03-21 | |
| Enamine | EN300-113791-2.5g |
1-(benzylamino)butan-2-ol |
27159-33-7 | 95.0% | 2.5g |
$1034.0 | 2025-03-21 | |
| Enamine | EN300-113791-5.0g |
1-(benzylamino)butan-2-ol |
27159-33-7 | 95.0% | 5.0g |
$1530.0 | 2025-03-21 |
1-(benzylamino)butan-2-ol Related Literature
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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