Cas no 58576-98-0 (2-amino-2-methylheptanenitrile)
58576-98-0 structure
Product Name:2-amino-2-methylheptanenitrile
CAS No:58576-98-0
MF:C8H16N2
MW:140.226041793823
CID:1610907
PubChem ID:6453656
Update Time:2025-04-21
2-amino-2-methylheptanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-amino-2-methylheptanenitrile
- heptanenitrile, 2-amino-2-methyl-
- 58576-98-0
- AKOS006365568
- SCHEMBL3834111
- DTXSID10886271
- RCJOBLVEKCLVPT-UHFFFAOYSA-N
-
- Inchi： 1S/C8H16N2/c1-3-4-5-6-8(2,10)7-9/h3-6,10H2,1-2H3
- InChI Key： RCJOBLVEKCLVPT-UHFFFAOYSA-N
- SMILES： NC(C#N)(C)CCCCC
Computed Properties
- Exact Mass: 140.13148
- Monoisotopic Mass: 140.131348519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 133
- 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: 1.6
- Topological Polar Surface Area: 49.8?2
Experimental Properties
- PSA: 49.81
2-amino-2-methylheptanenitrile Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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
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