Cas no 63699-79-6 ( )
structure
Product Name:
CAS No:63699-79-6
MF:C12H16N2O
MW:204.268242835999
CID:960712
PubChem ID:234566
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- CYTISINE, 3-METHYL-
- SCHEMBL10105087
- N-Methylcytisine
- N-methyl-cytisine
- Cytisine, 3-methyl
- BDBM50474187
- Q27106098
- NCI60_003080
- 11-methyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
- NSC-34656
- (1R,9S)-11-methyl-7,11-diazatricyclo[7.3.1.0^{2,7]trideca-2,4-dien-6-one
- DTXSID90871680
- 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R)-
- CHEBI:3474
- 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, (1R-cis)-
- 63699-79-6
- 3-Methyl-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
- Caulophyllin
- Caulophylline
- NSC34656
- AKOS030541865
- CULUKMPMGVXCEI-UHFFFAOYSA-N
- CHEMBL66191
-
-
- Inchi： 1S/C12H16N2O/c1-13-6-9-5-10(8-13)11-3-2-4-12(15)14(11)7-9/h2-4,9-10H,5-8H2,1H3
- InChI Key： CULUKMPMGVXCEI-UHFFFAOYSA-N
- SMILES： O=C1C=CC=C2C3CN(C)CC(CN21)C3
Computed Properties
- Exact Mass: 204.12600
- Monoisotopic Mass: 204.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 359
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 23.6?2
Experimental Properties
- PSA: 25.24000
- LogP: 0.83510
Related Literature
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
-
4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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