Cas no 1011464-30-4 (4-(tert-butylamino)-6-chloropyridine-3-carbaldehyde)
1011464-30-4 structure
Product Name:4-(tert-butylamino)-6-chloropyridine-3-carbaldehyde
CAS No:1011464-30-4
MF:C10H13ClN2O
MW:212.676021337509
CID:2106718
Update Time:2023-11-19
4-(tert-butylamino)-6-chloropyridine-3-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 4-(tert-butylamino)-6-chloropyridine-3-carbaldehyde
- HKORCEQJFHIRTE-UHFFFAOYSA-N
- 4-(tert-butylamino)-6-chloronicotinaldehyde
- CID 86629452
- 3-Pyridinecarboxaldehyde, 6-chloro-4-[(1,1-dimethylethyl)amino]-
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- Inchi： 1S/C10H13ClN2O/c1-10(2,3)13-8-4-9(11)12-5-7(8)6-14/h4-6H,1-3H3,(H,12,13)
- InChI Key： HKORCEQJFHIRTE-UHFFFAOYSA-N
- SMILES： ClC1=CC(=C(C=O)C=N1)NC(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 203
- Topological Polar Surface Area: 42
Experimental Properties
- Density: 1.213±0.06 g/cm3(Predicted)
- Boiling Point: 353.2±42.0 °C(Predicted)
- pka: 1.49±0.33(Predicted)
4-(tert-butylamino)-6-chloropyridine-3-carbaldehyde 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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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