Cas no 783339-87-7 (1H-1,3-Diazepine-7-carboxylicacid, 4,5,6,7-tetrahydro-2-methyl-, (7S)-)
783339-87-7 structure
Product Name:1H-1,3-Diazepine-7-carboxylicacid, 4,5,6,7-tetrahydro-2-methyl-, (7S)-
CAS No:783339-87-7
MF:C7H12N2O2
MW:156.182381629944
CID:554149
PubChem ID:45082159
Update Time:2025-04-19
1H-1,3-Diazepine-7-carboxylicacid, 4,5,6,7-tetrahydro-2-methyl-, (7S)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-1,3-Diazepine-7-carboxylicacid, 4,5,6,7-tetrahydro-2-methyl-, (7S)-
- (7S)-4,5,6,7-TETRAHYDRO-2-METHYL-1H-1,3-DIAZEPINE-7-CARBOXYLIC ACID
- 1H-1,3-Diazepine-4-carboxylicacid,4,5,6,7-tetrahydro-2-methyl-,(4S)-(9CI)
- Homoectoine
- (7S)-2-Methyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
- W-203800
- DTXSID70665140
- SCHEMBL19460394
- (7S)-4,5,6,7-Tetrahydro-2-methyl-1H-1,3-Diazepine-7-carboxylicacid
- 783339-87-7
-
- Inchi： 1S/C7H12N2O2/c1-5-8-4-2-3-6(9-5)7(10)11/h6H,2-4H2,1H3,(H,8,9)(H,10,11)/t6-/m0/s1
- InChI Key： DUXQJVAWRJYWOK-LURJTMIESA-N
- SMILES： OC([C@@H]1CCCN=C(C)N1)=O
Computed Properties
- Exact Mass: 156.09
- Monoisotopic Mass: 156.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 61.7A^2
- XLogP3: -0.4
1H-1,3-Diazepine-7-carboxylicacid, 4,5,6,7-tetrahydro-2-methyl-, (7S)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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