Cas no 89760-85-0 (Benzoic acid, 3-(aminomethyl)-, (2,4,6-trimethylphenyl)methyl ester)
89760-85-0 structure
Product Name:Benzoic acid, 3-(aminomethyl)-, (2,4,6-trimethylphenyl)methyl ester
CAS No:89760-85-0
MF:C18H21NO2
MW:283.36484503746
CID:589955
PubChem ID:71326009
Update Time:2025-04-19
Benzoic acid, 3-(aminomethyl)-, (2,4,6-trimethylphenyl)methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-(aminomethyl)-, (2,4,6-trimethylphenyl)methyl ester
- (2,4,6-trimethylphenyl)methyl 3-(aminomethyl)benzoate
- DTXSID40755264
- 89760-85-0
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- Inchi: 1S/C18H21NO2/c1-12-7-13(2)17(14(3)8-12)11-21-18(20)16-6-4-5-15(9-16)10-19/h4-9H,10-11,19H2,1-3H3
- InChI Key: PQZYDUAQSNVHLD-UHFFFAOYSA-N
- SMILES: O(C(C1=CC=CC(CN)=C1)=O)CC1C(C)=CC(C)=CC=1C
Computed Properties
- Exact Mass: 283.157228913g/mol
- Monoisotopic Mass: 283.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 5
- Complexity: 332
- 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
- XLogP3: 3.2
- Topological Polar Surface Area: 52.3?2
Benzoic acid, 3-(aminomethyl)-, (2,4,6-trimethylphenyl)methyl ester Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
89760-85-0 (Benzoic acid, 3-(aminomethyl)-, (2,4,6-trimethylphenyl)methyl ester) Related Products
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