Cas no 148915-77-9 (Benzoic acid,2-amino-5-hydroxy-, 9-methyldecyl ester)
148915-77-9 structure
Product Name:Benzoic acid,2-amino-5-hydroxy-, 9-methyldecyl ester
CAS No:148915-77-9
MF:C18H29NO3
MW:307.427765607834
CID:166570
PubChem ID:192422
Update Time:2025-04-19
Benzoic acid,2-amino-5-hydroxy-, 9-methyldecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-amino-5-hydroxy-, 9-methyldecyl ester
- 9-methyldecyl 2-amino-5-hydroxybenzoate
- BU 4601 B
- BU-4601 B
- Isoundecyl 5-hydroxyanthranilate
- DTXSID00164136
- CHEBI:209591
- SCHEMBL9500159
- 148915-77-9
-
- Inchi： 1S/C18H29NO3/c1-14(2)9-7-5-3-4-6-8-12-22-18(21)16-13-15(20)10-11-17(16)19/h10-11,13-14,20H,3-9,12,19H2,1-2H3
- InChI Key： NGQKBZVVKVAIIG-UHFFFAOYSA-N
- SMILES： O(C(C1C=C(C=CC=1N)O)=O)CCCCCCCCC(C)C
Computed Properties
- Exact Mass: 307.21487
- Monoisotopic Mass: 307.214744
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 11
- Complexity: 307
- 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: 72.6
- XLogP3: 6
Experimental Properties
- Density: 1.047
- Boiling Point: 459.3°Cat760mmHg
- Flash Point: 231.6°C
- Refractive Index: 1.528
- PSA: 72.55
Benzoic acid,2-amino-5-hydroxy-, 9-methyldecyl ester Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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