Cas no 99450-97-2 (1-Naphthalenemethanamine,N-(6,6-dimethyl-2-hepten-4-yn-1-yl)-)
99450-97-2 structure
Product Name:1-Naphthalenemethanamine,N-(6,6-dimethyl-2-hepten-4-yn-1-yl)-
CAS No:99450-97-2
MF:C20H23N
MW:277.40332531929
CID:807946
PubChem ID:6443233
Update Time:2025-04-19
1-Naphthalenemethanamine,N-(6,6-dimethyl-2-hepten-4-yn-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenemethanamine,N-(6,6-dimethyl-2-hepten-4-yn-1-yl)-
- Desmethylterbinafine
- 1-Naphthalenemethanamine, N-(6,6-dimethyl-2-hepten-4-ynyl)-, (E)-
- 99473-11-7
- 99450-97-2
- [(2E)-6,6-dimethylhept-2-en-4-yn-1-yl][(naphthalen-1-yl)methyl]amine
- N-DESMETHYLTERBINAFINE
- (E)-6,6-dimethyl-N-(naphthalen-1-ylmethyl)hept-2-en-4-yn-1-amine
- DIBENZEPINEHCL
- N-Desmethyl Terbinafine
- SCHEMBL3256688
- SCHEMBL3256682
- Demethylterbinafine
- SDZ 86621
- N-DesmethylTerbinafine-d7
- CHEBI:173976
- N-[(2E)-6,6-Dimethyl-2-hepten-4-ynyl]-1-naphthalenemethanamine
-
- Inchi： 1S/C20H23N/c1-20(2,3)14-7-4-8-15-21-16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13,21H,15-16H2,1-3H3/b8-4+
- InChI Key： IZJZLXQHMWUCIC-XBXARRHUSA-N
- SMILES： N(C/C=C/C#CC(C)(C)C)CC1C=CC=C2C=CC=CC=12
Computed Properties
- Exact Mass: 277.18305
- Monoisotopic Mass: 277.18305
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 401
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 12
Experimental Properties
- Density: 1.011
- Boiling Point: 434.1°Cat760mmHg
- Flash Point: 228.5°C
1-Naphthalenemethanamine,N-(6,6-dimethyl-2-hepten-4-yn-1-yl)- Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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M. A. Piechowiak,A. Videcoq,R. Ferrando,D. Bochicchio,C. Pagnoux,F. Rossignol Phys. Chem. Chem. Phys., 2012,14, 1431-1439
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
99450-97-2 (1-Naphthalenemethanamine,N-(6,6-dimethyl-2-hepten-4-yn-1-yl)-) Related Products
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