Cas no 193538-44-2 (3-Piperidinecarbonylchloride, 1-methyl-)
193538-44-2 structure
Product Name:3-Piperidinecarbonylchloride, 1-methyl-
CAS No:193538-44-2
MF:C7H12ClNO
MW:161.629281044006
CID:116384
PubChem ID:20026018
Update Time:2025-04-18
3-Piperidinecarbonylchloride, 1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Piperidinecarbonylchloride, 1-methyl-
- 1-Methylpiperidine-3-carbonyl chloride
- 3-Piperidinecarbonyl chloride, 1-methyl- (9CI)
- AKOS025141866
- ZKIJYOZMNSWYMI-UHFFFAOYSA-N
- 193538-44-2
- DTXSID40601772
- SCHEMBL1339654
- N-methylnipecotyl chloride
-
- Inchi： 1S/C7H12ClNO/c1-9-4-2-3-6(5-9)7(8)10/h6H,2-5H2,1H3
- InChI Key： ZKIJYOZMNSWYMI-UHFFFAOYSA-N
- SMILES： ClC(C1CN(C)CCC1)=O
Computed Properties
- Exact Mass: 161.06086
- Monoisotopic Mass: 161.0607417g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 138
- 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: 1.3
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
3-Piperidinecarbonylchloride, 1-methyl- Related Literature
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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