Cas no 53602-28-1 ((21aR)-10-(3-aminopropyl)octadecahydro-2H-pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one)
![(21aR)-10-(3-aminopropyl)octadecahydro-2H-pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one structure](https://ossimg.kuujia.com/scimg/54000/53602-28-1x500.png)
53602-28-1 structure
Product Name:(21aR)-10-(3-aminopropyl)octadecahydro-2H-pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one
CAS No:53602-28-1
MF:C23H45N3O
MW:379.622906446457
CID:1582895
PubChem ID:6452858
Update Time:2025-04-21
(21aR)-10-(3-aminopropyl)octadecahydro-2H-pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one Chemical and Physical Properties
Names and Identifiers
-
- (21aR)-10-(3-aminopropyl)octadecahydro-2H-pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one
- 2H-Pyrido(1,2-f)(1,6)diazacyclooctadecin-11(6H)-one, 10-(3-aminopropyl)octadecahydro-, (R)-
- 2H-Pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one, 10-(3-aminopropyl)octadecahydro-, (R)-
- (18R)-6-(3-aminopropyl)-1,6-diazabicyclo[16.4.0]docosan-7-one
- 10-(3-Aminopropyl)octadecahydro-2H-pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one #
- 53602-28-1
- DTXSID50201823
- Neooncinotine
- HDBGIAZFRILRHP-JOCHJYFZSA-N
-
- Inchi： 1S/C23H45N3O/c24-17-13-21-26-20-12-11-19-25-18-10-9-15-22(25)14-7-5-3-1-2-4-6-8-16-23(26)27/h22H,1-21,24H2/t22-/m1/s1
- InChI Key： HDBGIAZFRILRHP-JOCHJYFZSA-N
- SMILES： O=C1CCCCCCCCCC[C@@H]2CCCCN2CCCCN1CCCN
Computed Properties
- Exact Mass: 379.35655
- Monoisotopic Mass: 379.356263
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 388
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 49.6
- XLogP3: 4.8
Experimental Properties
- Density: 0.99
- Boiling Point: 541.7°C at 760 mmHg
- Flash Point: 281.4°C
- Refractive Index: 1.518
- PSA: 49.57
(21aR)-10-(3-aminopropyl)octadecahydro-2H-pyrido[1,2-f][1,6]diazacyclooctadecin-11(6H)-one Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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2. 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
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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