Cas no 47117-06-6 (1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI))
47117-06-6 structure
Product Name:1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI)
CAS No:47117-06-6
MF:C20H37N
MW:291.514486074448
CID:334346
PubChem ID:221540
Update Time:2025-04-19
1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI)
- 47117-06-6
- NSC6377
- NSC-6377
-
- Inchi: 1S/C20H37N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h14-18H,5-13,21H2,1-4H3/t15-,16-,17-,18-,19-,20+/m0/s1
- InChI Key: XFTYNVYVQAMCAC-RPZLJYRGSA-N
- SMILES: NC[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@H](C(C)C)C[C@@H]3CC[C@H]21
Computed Properties
- Exact Mass: 291.293
- Monoisotopic Mass: 291.293
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 2
- Complexity: 376
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.4
- Topological Polar Surface Area: 26?2
Experimental Properties
- Density: 0.909
- Boiling Point: 349.7°Cat760mmHg
- Flash Point: 162.3°C
- Refractive Index: 1.485
- PSA: 26.02000
- LogP: 5.94040
1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI) Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
47117-06-6 (1-Phenanthrenemethanamine,tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1a,4ab,4ba,7a,8ab,10aa)]- (9CI)) Related Products
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