Cas no 381212-15-3 (2,3-Pyridinediamine,6-methoxy-N2,N2-dimethyl-)
381212-15-3 structure
Product Name:2,3-Pyridinediamine,6-methoxy-N2,N2-dimethyl-
CAS No:381212-15-3
MF:C8H13N3O
MW:167.208321332932
CID:298393
Update Time:2024-01-27
2,3-Pyridinediamine,6-methoxy-N2,N2-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- 2,3-Pyridinediamine,6-methoxy-N2,N2-dimethyl-
- 2,3-Pyridinediamine,6-methoxy-N2,N2-dimethyl-(9CI)
- 2,3-Pyridinediamine, 6-methoxy-N2,N2-dimethyl-
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- Inchi： 1S/C8H13N3O/c1-11(2)8-6(9)4-5-7(10-8)12-3/h4-5H,9H2,1-3H3
- InChI Key： WYIBVYHZQOCHCD-UHFFFAOYSA-N
- SMILES： C1(N(C)C)=NC(OC)=CC=C1N
Computed Properties
- Exact Mass: 167.10599
- Monoisotopic Mass: 167.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 140
- 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
- Topological Polar Surface Area: 51.4A^2
Experimental Properties
- PSA: 51.38
2,3-Pyridinediamine,6-methoxy-N2,N2-dimethyl- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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