Cas no 72544-17-3 (4-Piperidinone,1-(1-methylpropyl)-)
72544-17-3 structure
Product Name:4-Piperidinone,1-(1-methylpropyl)-
CAS No:72544-17-3
MF:C9H17NO
MW:155.237382650375
CID:549766
PubChem ID:13182807
Update Time:2025-04-19
4-Piperidinone,1-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Piperidinone,1-(1-methylpropyl)-
- 1-butan-2-ylpiperidin-4-one
- 1-SEC-BUTYL-PIPERIDIN-4-ONE
- 1-(butan-2-yl)piperidin-4-one
- 1-Isobutyl-4-piperidon
- 1-sec.-butyl-4-piperidone
- 1-sec-Butyl-4-piperidinone
- 1-sec-Butyl-piperidin-4-on
- AG-G-85780
- AGN-PC-00LBQM
- CTK5D6450
- SureCN4745100
- AB39315
- AKOS000186331
- DTXSID50525415
- SCHEMBL4745100
- FT-0691173
- XYIMUBJXPVXFMF-UHFFFAOYSA-N
- 72544-17-3
-
- Inchi： 1S/C9H17NO/c1-3-8(2)10-6-4-9(11)5-7-10/h8H,3-7H2,1-2H3
- InChI Key： XYIMUBJXPVXFMF-UHFFFAOYSA-N
- SMILES： O=C1CCN(CC1)C(C)CC
Computed Properties
- Exact Mass: 155.13111
- Monoisotopic Mass: 155.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 135
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 1
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- Density: 0.954±0.06 g/cm3 (20 oC 760 Torr),
- Boiling Point: 112 oC (23 Torr)
- Flash Point: 88.1±10.0 oC,
- Solubility: Slightly soluble (26 g/l) (25 o C),
- PSA: 20.31
4-Piperidinone,1-(1-methylpropyl)- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
72544-17-3 (4-Piperidinone,1-(1-methylpropyl)-) Related Products
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