Cas no 1341124-14-8 (methyl 2-(2,6-diaminophenyl)acetate)
1341124-14-8 structure
Product Name:methyl 2-(2,6-diaminophenyl)acetate
CAS No:1341124-14-8
MF:C9H12N2O2
MW:180.203782081604
CID:1104990
PubChem ID:68216632
Update Time:2025-04-20
methyl 2-(2,6-diaminophenyl)acetate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(2,6-diaminophenyl)acetate
- SCHEMBL12204370
- 1341124-14-8
- AKOS025149716
- DB-187652
-
- Inchi： 1S/C9H12N2O2/c1-13-9(12)5-6-7(10)3-2-4-8(6)11/h2-4H,5,10-11H2,1H3
- InChI Key： VCKIJAPQGBZVKE-UHFFFAOYSA-N
- SMILES： O(C)C(CC1C(=CC=CC=1N)N)=O
Computed Properties
- Exact Mass: 180.089877630g/mol
- Monoisotopic Mass: 180.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 175
- 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: 0.3
- Topological Polar Surface Area: 78.3?2
methyl 2-(2,6-diaminophenyl)acetate Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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