Cas no 24304-61-8 (1H-Azepine,1,1',1''-phosphinylidynetris[hexahydro- (9CI))
24304-61-8 structure
Product Name:1H-Azepine,1,1',1''-phosphinylidynetris[hexahydro- (9CI)
CAS No:24304-61-8
MF:C18H36N3OP
MW:341.471705436707
CID:275476
PubChem ID:243648
Update Time:2025-04-19
1H-Azepine,1,1',1''-phosphinylidynetris[hexahydro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-[bis(azepan-1-yl)phosphoryl]azepane
- ACMC-20n5mn
- CTK0B1876
- Palladium, tris[bis(1,1-dimethylethyl)phosphine]-
- tris-di-tert-butylphosphine palladium(0)
- Tris-hexahydroazepinyl-(1)-phosphinoxyd
- DTXSID20947140
- NSC53753
- 1,1',1''-Phosphoryltris(azepane)
- NSC221654
- NSC-53753
- NSC-221654
- 24304-61-8
- 1H-Azepine,1,1',1''-phosphinylidynetris[hexahydro- (9CI)
-
- Inchi： 1S/C18H36N3OP/c22-23(19-13-7-1-2-8-14-19,20-15-9-3-4-10-16-20)21-17-11-5-6-12-18-21/h1-18H2
- InChI Key： UIBNUXJFGHZPGR-UHFFFAOYSA-N
- SMILES： P(N1CCCCCC1)(N1CCCCCC1)(N1CCCCCC1)=O
Computed Properties
- Exact Mass: 341.25988
- Monoisotopic Mass: 341.26
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 323
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 26.8?2
Experimental Properties
- Density: 1.08
- Boiling Point: 476°Cat760mmHg
- Flash Point: 241.7°C
- Refractive Index: 1.535
- PSA: 26.79
- LogP: 4.53620
1H-Azepine,1,1',1''-phosphinylidynetris[hexahydro- (9CI) Related Literature
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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