Cas no 454701-68-9 ()
structure
Product Name:
CAS No:454701-68-9
MF:C8H19N3O2
MW:189.255361795425
CID:874754
Update Time:2026-04-29
Chemical and Physical Properties
Names and Identifiers
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- Carbamic acid, (1,3-diaminopropyl)-, 1,1-dimethylethyl ester (9CI)
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- Inchi： InChI=1S/C8H19N3O2/c1-8(2,3)13-7(12)11-6(10)4-5-9/h6H,4-5,9-10H2,1-3H3,(H,11,12)
- InChI Key： GWFDLYZLGUUTJA-UHFFFAOYSA-N
- SMILES： CC(C)(OC(NC(N)CCN)=O)C
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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