Cas no 2941-37-9 (Hexanediamide,2-phenyl-)
Hexanediamide,2-phenyl- structure
Product Name:Hexanediamide,2-phenyl-
CAS No:2941-37-9
MF:C12H16N2O2
MW:220.267642974854
CID:289727
PubChem ID:324023
Update Time:2025-04-19
Hexanediamide,2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Hexanediamide,2-phenyl-
- 2-phenylhexanediamide
- 2-Phenyl-adipamid
- AC1L89UV
- NSC287527
- SureCN1061595
- SCHEMBL1061595
- DTXSID40314714
- NSC-287527
- 2941-37-9
-
- Inchi： 1S/C12H16N2O2/c13-11(15)8-4-7-10(12(14)16)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,13,15)(H2,14,16)
- InChI Key： YRPBLVABAXWQMU-UHFFFAOYSA-N
- SMILES： O=C(C(C1C=CC=CC=1)CCCC(N)=O)N
Computed Properties
- Exact Mass: 220.12128
- Monoisotopic Mass: 220.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 247
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 86.2?2
Experimental Properties
- Density: 1.155
- Boiling Point: 541°Cat760mmHg
- Flash Point: 281°C
- Refractive Index: 1.558
- PSA: 86.18
- LogP: 2.31170
Hexanediamide,2-phenyl- Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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