Cas no 495406-77-4 (Benzenemethanol, 3-amino-4-methoxy-alpha-methyl- (9CI))
495406-77-4 structure
Product Name:Benzenemethanol, 3-amino-4-methoxy-alpha-methyl- (9CI)
CAS No:495406-77-4
MF:C9H13NO2
MW:167.205022573471
CID:1022903
PubChem ID:19922659
Update Time:2025-04-20
Benzenemethanol, 3-amino-4-methoxy-alpha-methyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol, 3-amino-4-methoxy-alpha-methyl- (9CI)
- 1-(3-amino-4-methoxyphenyl)ethanol
- AG-F-65777
- BENZENEMETHANOL, 3-AMINO-4-METHOXY-α-METHYL-
- CTK4J1357
- SureCN6080027
- BENZENEMETHANOL, 3-AMINO-4-METHOXY-ALPHA-METHYL-
- DTXSID40601333
- 495406-77-4
- Benzenemethanol, 3-amino-4-methoxy-alpha-methyl-(9CI)
- 1-(3-Amino-4-methoxyphenyl)ethan-1-ol
- DB-274125
- SCHEMBL6080027
-
- Inchi： 1S/C9H13NO2/c1-6(11)7-3-4-9(12-2)8(10)5-7/h3-6,11H,10H2,1-2H3
- InChI Key： MMWXBNBRAPNJDT-UHFFFAOYSA-N
- SMILES： OC(C)C1C=CC(=C(C=1)N)OC
Computed Properties
- Exact Mass: 167.09500
- Monoisotopic Mass: 167.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 55.5?2
Experimental Properties
- PSA: 55.48000
- LogP: 1.91190
Benzenemethanol, 3-amino-4-methoxy-alpha-methyl- (9CI) Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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