Cas no 5444-12-2 (Methyl 3-(diethylaminomethyl)benzoate;hydrochloride)
5444-12-2 structure
Product Name:Methyl 3-(diethylaminomethyl)benzoate;hydrochloride
CAS No:5444-12-2
MF:C13H20ClNO2
MW:257.75640296936
CID:941269
PubChem ID:54609199
Update Time:2025-04-19
Methyl 3-(diethylaminomethyl)benzoate;hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Methyl 3-(diethylaminomethyl)benzoate;hydrochloride
- NSC19499; NSC-19499; KB-256067; methyl 3-(diethylaminomethyl)benzoate hydrochloride;
- methyl 3-(diethylaminomethyl)benzoate hydrochloride
- methyl 3-(diethylaminomethyl)benzoate
- DS-001029
- Methyl 3-[(diethylamino)methyl]benzoate--hydrogen chloride (1/1)
- 5444-12-2
- NSC19499
- DTXSID50714847
- NSC-19499
-
- Inchi： 1S/C13H19NO2.ClH/c1-4-14(5-2)10-11-7-6-8-12(9-11)13(15)16-3;/h6-9H,4-5,10H2,1-3H3;1H
- InChI Key： NWIWBYIKTXJRNM-UHFFFAOYSA-N
- SMILES： Cl.O(C)C(C1=CC=CC(=C1)CN(CC)CC)=O
Computed Properties
- Exact Mass: 257.11800
- Monoisotopic Mass: 257.1182566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 214
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 29.5?2
Experimental Properties
- PSA: 29.54000
- LogP: 3.11700
Methyl 3-(diethylaminomethyl)benzoate;hydrochloride Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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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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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
5444-12-2 (Methyl 3-(diethylaminomethyl)benzoate;hydrochloride) Related Products
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