Cas no 42149-77-9 ( )
structure
Product Name:
CAS No:42149-77-9
MF:C8H11N3O
MW:165.192441225052
CID:927823
PubChem ID:305401
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- AG-F-49870; AC1L76R5; N,N-Bis-(2-cyan-aethyl)-acetamid; NSC202177; Acetyl-bis-< 2-cyan-ethyl> -amin; 3.3'-Acetylimino-dipropionitril; AKOS009106246; Essigsaeure< bis-(2-cyan-aethyl)-amid> ; CTK4I5762; N,N-bis-(2-cyano-ethyl)-acetamide; N-Acetyl-iminodipropionitril;
- 42149-77-9
- AKOS009106246
- DS-011719
- NSC-202177
- NSC202177
- SCHEMBL1344184
- N,N-bis(2-cyanoethyl)acetamide
- DTXSID90308103
-
-
- MDL: MFCD04277951
- Inchi: 1S/C8H11N3O/c1-8(12)11(6-2-4-9)7-3-5-10/h2-3,6-7H2,1H3
- InChI Key: YSPPZFZYYWAMRV-UHFFFAOYSA-N
- SMILES: O=C(C)N(CCC#N)CCC#N
Computed Properties
- Exact Mass: 165.09033
- Monoisotopic Mass: 165.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 222
- 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: -0.9
- Topological Polar Surface Area: 67.9?2
Experimental Properties
- PSA: 67.89
Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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