Cas no 178619-96-0 (Benzoic acid,2,3-diamino-5,6-dimethyl-, methyl ester)
178619-96-0 structure
Product Name:Benzoic acid,2,3-diamino-5,6-dimethyl-, methyl ester
CAS No:178619-96-0
MF:C10H14N2O2
MW:194.230362415314
CID:112936
PubChem ID:19068901
Update Time:2025-04-18
Benzoic acid,2,3-diamino-5,6-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,3-diamino-5,6-dimethyl-, methyl ester
- Benzoic acid, 2,3-diamino-5,6-dimethyl-, methyl ester (9CI)
- SCHEMBL7821521
- Benzoic acid,2,3-diamino-5,6-dimethyl-,methyl ester(9ci)
- methyl 2,3-diamino-5,6-dimethylbenzoate
- 178619-96-0
- SCPAYRCIBSGQGG-UHFFFAOYSA-N
-
- Inchi： 1S/C10H14N2O2/c1-5-4-7(11)9(12)8(6(5)2)10(13)14-3/h4H,11-12H2,1-3H3
- InChI Key： SCPAYRCIBSGQGG-UHFFFAOYSA-N
- SMILES： O(C)C(C1=C(C(=CC(C)=C1C)N)N)=O
Computed Properties
- Exact Mass: 194.10562
- Monoisotopic Mass: 194.106
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 220
- 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: 1.7
- Topological Polar Surface Area: 78.3A^2
Experimental Properties
- PSA: 78.34
Benzoic acid,2,3-diamino-5,6-dimethyl-, methyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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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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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
178619-96-0 (Benzoic acid,2,3-diamino-5,6-dimethyl-, methyl ester) Related Products
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- 90259-52-2(Ethyl 2-amino-6-methylbenzoate)
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