Cas no 162213-00-5 (3-Hexanol, 4-amino-3-ethyl-5-methyl-, (4S)-)
162213-00-5 structure
Product Name:3-Hexanol, 4-amino-3-ethyl-5-methyl-, (4S)-
CAS No:162213-00-5
MF:C9H21NO
MW:159.269142866135
CID:1342270
Update Time:2024-08-17
3-Hexanol, 4-amino-3-ethyl-5-methyl-, (4S)- Chemical and Physical Properties
Names and Identifiers
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- 3-Hexanol, 4-amino-3-ethyl-5-methyl-, (4S)-
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- Inchi： 1S/C9H21NO/c1-5-9(11,6-2)8(10)7(3)4/h7-8,11H,5-6,10H2,1-4H3/t8-/m0/s1
- InChI Key： NGTZZLFIMHYSSJ-QMMMGPOBSA-N
- SMILES： CCC(CC)(O)[C@@H](N)C(C)C
Computed Properties
- Exact Mass: 159.16243
Experimental Properties
- Density: 0.889±0.06 g/cm3(Predicted)
- Boiling Point: 249.7±13.0 °C(Predicted)
- PSA: 46.25
- pka: 12.96±0.50(Predicted)
3-Hexanol, 4-amino-3-ethyl-5-methyl-, (4S)- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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