Cas no 158832-49-6 (2-Pyridinecarboxylicacid, 6-amino-2,3,4,5-tetrahydro-, methyl ester)
158832-49-6 structure
Product Name:2-Pyridinecarboxylicacid, 6-amino-2,3,4,5-tetrahydro-, methyl ester
CAS No:158832-49-6
MF:C7H12N2O2
MW:156.182381629944
CID:109019
PubChem ID:11819274
Update Time:2025-04-18
2-Pyridinecarboxylicacid, 6-amino-2,3,4,5-tetrahydro-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylicacid, 6-amino-2,3,4,5-tetrahydro-, methyl ester
- methyl 6-amino-2,3,4,5-tetrahydropyridine-2-carboxylate
- 6-AMINO-2,3,4,5-TETRAHYDRO-2-PYRIDINECARBOXYLIC ACID METHYL ESTER
- 2-Pyridinecarboxylicacid,6-amino-2,3,4,5-tetrahydro-,methylester(9CI)
- SCHEMBL8310685
- 158832-49-6
- BDBM50039836
- 6-Amino-2,3,4,5-tetrahydro-pyridine-2-carboxylic acid methyl ester; hydrochloride
- DTXSID90473688
- CHEMBL543375
- CHEMBL1192183
-
- Inchi： 1S/C7H12N2O2/c1-11-7(10)5-3-2-4-6(8)9-5/h5H,2-4H2,1H3,(H2,8,9)
- InChI Key： PIFNPHGMSQOHSQ-UHFFFAOYSA-N
- SMILES： O(C)C(C1CCCC(N)=N1)=O
Computed Properties
- Exact Mass: 156.09000
- Monoisotopic Mass: 156.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 189
- 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: -0.4
- Topological Polar Surface Area: 64.7?2
Experimental Properties
- PSA: 64.68000
- LogP: 0.20500
2-Pyridinecarboxylicacid, 6-amino-2,3,4,5-tetrahydro-, methyl ester Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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