Cas no 18283-43-7 (Pentanediamide,2-cyano-)
Pentanediamide,2-cyano- structure
Product Name:Pentanediamide,2-cyano-
CAS No:18283-43-7
MF:C6H9N3O2
MW:155.154560804367
CID:145734
PubChem ID:255344
Update Time:2025-04-19
Pentanediamide,2-cyano- Chemical and Physical Properties
Names and Identifiers
-
- Pentanediamide,2-cyano-
- 2-cyanopentanediamide
- Glutaramide, 2-cyano- (8CI)
- 2-Cyanoglutaramid
- AC1L5S75
- AC1Q5J87
- AR-1E0906
- CCG-40385
- CTK4D8326
- NSC80749
- Glutaramide, 2-cyano- (8CI)
- DTXSID50292195
- NSC-80749
- 18283-43-7
- SCHEMBL11842620
-
- Inchi： 1S/C6H9N3O2/c7-3-4(6(9)11)1-2-5(8)10/h4H,1-2H2,(H2,8,10)(H2,9,11)
- InChI Key： OEHZJTODUAJYIU-UHFFFAOYSA-N
- SMILES： O=C(C(C#N)CCC(N)=O)N
Computed Properties
- Exact Mass: 155.06957
- Monoisotopic Mass: 155.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 215
- 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: -1.7
- Topological Polar Surface Area: 110?2
Experimental Properties
- PSA: 109.97
- LogP: 0.27758
Pentanediamide,2-cyano- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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