Cas no 101517-06-0 (Guanidine,N-dodecyl-N'-nitro- (9CI))
101517-06-0 structure
Product Name:Guanidine,N-dodecyl-N'-nitro- (9CI)
CAS No:101517-06-0
MF:C13H28N4O2
MW:272.387022972107
CID:231550
PubChem ID:58488
Update Time:2025-04-19
Guanidine,N-dodecyl-N'-nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Guanidine,N-dodecyl-N'-nitro- (9CI)
- 2-dodecyl-1-nitroguanidine
- 2-dodecyl-1-nitro-guanidine
- AC1L1P4I
- AC1Q21V4
- ACMC-20m4kl
- CTK3J9866
- GUANIDINE, 3-DODECYL-1-NITRO-
- N(sup 1)-Dodecyl-N(sup 3)-nitroguanidine
- 101517-06-0
- DTXSID30143979
-
- Inchi： 1S/C13H28N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13(14)16-17(18)19/h2-12H2,1H3,(H3,14,15,16)
- InChI Key： WSWZXMIHHIYAMY-UHFFFAOYSA-N
- SMILES： [O-][N+](N/C(/N)=N/CCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 272.22144
- Monoisotopic Mass: 272.22122615g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 12
- Complexity: 252
- 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: 4.8
- Topological Polar Surface Area: 96.2?2
Experimental Properties
- PSA: 93.55
Guanidine,N-dodecyl-N'-nitro- (9CI) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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