Cas no 68046-91-3 ( )
structure
Product Name:
CAS No:68046-91-3
MF:C25H51NO2
MW:397.677948236465
CID:968464
PubChem ID:351651
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- tetradecan-1-amine,undec-10-enoic acid
- NSC-522594
- 68046-91-3
- DTXSID30326003
- tetradecan-1-amine; undec-10-enoic acid
- NSC522594
- DS-012470
-
-
- Inchi： 1S/C14H31N.C11H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15;1-2-3-4-5-6-7-8-9-10-11(12)13/h2-15H2,1H3;2H,1,3-10H2,(H,12,13)
- InChI Key： NJBKXZAWKUXALW-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCC=C)=O.NCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 397.39223
- Monoisotopic Mass: 397.391979870g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 21
- Complexity: 243
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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