Cas no 180205-20-3 (Cyclobutanemethanol,1-(aminomethyl)-3-(1-methylethyl)-)
180205-20-3 structure
Product Name:Cyclobutanemethanol,1-(aminomethyl)-3-(1-methylethyl)-
CAS No:180205-20-3
MF:C9H19NO
MW:157.253262758255
CID:113389
Update Time:2024-01-24
Cyclobutanemethanol,1-(aminomethyl)-3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- Cyclobutanemethanol,1-(aminomethyl)-3-(1-methylethyl)-
- Cyclobutanemethanol, 1-(aminomethyl)-3-(1-methylethyl)- (9CI)
- Cyclobutanemethanol, 1-(aminomethyl)-3-(1-methylethyl)-
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- Inchi： 1S/C9H19NO/c1-7(2)8-3-9(4-8,5-10)6-11/h7-8,11H,3-6,10H2,1-2H3
- InChI Key： IIFILIDHCJCMGT-UHFFFAOYSA-N
- SMILES： C1(CN)(CO)CC(C(C)C)C1
Computed Properties
- Exact Mass: 157.14677
- Monoisotopic Mass: 157.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 128
- 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: 46.2A^2
Experimental Properties
- Density: 0.954±0.06 g/cm3(Predicted)
- Boiling Point: 235.9±13.0 °C(Predicted)
- PSA: 46.25
- pka: 15.05±0.10(Predicted)
Cyclobutanemethanol,1-(aminomethyl)-3-(1-methylethyl)- 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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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