Cas no 887587-87-3 (Phenol,3-methyl-4-[(2-methylpropyl)amino]-)
887587-87-3 structure
Product Name:Phenol,3-methyl-4-[(2-methylpropyl)amino]-
CAS No:887587-87-3
MF:C11H17NO
MW:179.258783102036
CID:713481
PubChem ID:53404131
Update Time:2025-04-19
Phenol,3-methyl-4-[(2-methylpropyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,3-methyl-4-[(2-methylpropyl)amino]-
- 3-methyl-4-(2-methylpropylamino)phenol
- 3-methyl-4-[(2-methylpropyl)amino]Phenol
- 4-(2-METHYL-PROPYLAMINO)-3-METHYL-PHENOL
- AKOS006286900
- SCHEMBL5942971
- FT-0750209
- DTXSID90695328
- 887587-87-3
-
- MDL: MFCD07786973
- Inchi: 1S/C11H17NO/c1-8(2)7-12-11-5-4-10(13)6-9(11)3/h4-6,8,12-13H,7H2,1-3H3
- InChI Key: FMYRFJMKUUFDQC-UHFFFAOYSA-N
- SMILES: OC1C=CC(=C(C)C=1)NCC(C)C
Computed Properties
- Exact Mass: 179.131
- Monoisotopic Mass: 179.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 147
- 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
- Surface Charge: 0
- Tautomer Count: 6
- XLogP3: 3.2
- Topological Polar Surface Area: 32.3?2
Phenol,3-methyl-4-[(2-methylpropyl)amino]- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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