Cas no 6998-39-6 (Carbamic acid,(2-hydroxyethyl)- (7CI,8CI,9CI))
6998-39-6 structure
Product Name:Carbamic acid,(2-hydroxyethyl)- (7CI,8CI,9CI)
CAS No:6998-39-6
MF:C26H30N2O3
MW:418.528007030487
CID:523648
PubChem ID:135752459
Update Time:2025-04-19
Carbamic acid,(2-hydroxyethyl)- (7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamic acid,(2-hydroxyethyl)- (7CI,8CI,9CI)
- N'-[(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-(4-methylphenyl)adamantane-1-carbohydrazide
- N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-methylphenyl)adamantane-1-carboxamide
- AKOS001577718
- AKOS022191895
- DTXSID00425779
- N'-[(E)-(4-HYDROXY-3-METHOXYPHENYL)METHYLIDENE]-3-(4-METHYLPHENYL)ADAMANTANE-1-CARBOHYDRAZIDE
- 6998-39-6
- N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylene]-3-(4-methylphenyl)adamantane-1-carbohydrazide
- AC1OBJWC
-
- Inchi： 1S/C26H30N2O3/c1-17-3-6-21(7-4-17)25-11-19-9-20(12-25)14-26(13-19,16-25)24(30)28-27-15-18-5-8-22(29)23(10-18)31-2/h3-8,10,15,19-20,29H,9,11-14,16H2,1-2H3,(H,28,30)/b27-15+
- InChI Key： UIPLLABJHFBIQN-JFLMPSFJSA-N
- SMILES： O=C(C12CC3CC(C1)CC(C1C=CC(C)=CC=1)(C3)C2)N/N=C/C1C=CC(=C(C=1)OC)O
Computed Properties
- Exact Mass: 418.2258
- Monoisotopic Mass: 418.22564282g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 685
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 70.9?2
Experimental Properties
- PSA: 67.43
Carbamic acid,(2-hydroxyethyl)- (7CI,8CI,9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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