Cas no 41808-27-9 ((1-Amino-2-methylpropylidene)propanedinitrile)
41808-27-9 structure
Product Name:(1-Amino-2-methylpropylidene)propanedinitrile
CAS No:41808-27-9
MF:C7H9N3
MW:135.166460752487
CID:2636174
PubChem ID:21426735
Update Time:2025-04-21
(1-Amino-2-methylpropylidene)propanedinitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(1-amino-2-methylpropylidene)propanedinitrile
- HHHURXWIOXOWAV-UHFFFAOYSA-N
- (1-Amino-2-methylpropylidene)propanedinitrile
- AKOS006338893
- 3-Amino-2-cyano-4-methyl-2-pentenenitrile
- SCHEMBL11702885
- DTXSID80613652
- 41808-27-9
-
- Inchi： 1S/C7H9N3/c1-5(2)7(10)6(3-8)4-9/h5H,10H2,1-2H3
- InChI Key： HHHURXWIOXOWAV-UHFFFAOYSA-N
- SMILES： N/C(=C(\C#N)/C#N)/C(C)C
Computed Properties
- Exact Mass: 135.079647300Da
- Monoisotopic Mass: 135.079647300Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 225
- 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: 0.6
- Topological Polar Surface Area: 73.6?2
(1-Amino-2-methylpropylidene)propanedinitrile Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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