Cas no 16418-18-1 (2H-1,4-Diazepine,3,6-dihydro-5,7-dimethyl-, hydrochloride (1:1))
16418-18-1 structure
Product Name:2H-1,4-Diazepine,3,6-dihydro-5,7-dimethyl-, hydrochloride (1:1)
CAS No:16418-18-1
MF:C7H13ClN2
MW:160.644520521164
CID:142956
PubChem ID:24192719
Update Time:2025-04-19
2H-1,4-Diazepine,3,6-dihydro-5,7-dimethyl-, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,4-Diazepine,3,6-dihydro-5,7-dimethyl-, hydrochloride (1:1)
- 5,7-dimethyl-3,6-dihydro-2H-1,4-diazepine,hydrochloride
- NSC142590
- NSC-142590
- DTXSID10638232
- 5,7-DIMETHYL-3,6-DIHYDRO-2H-1,4-DIAZEPINE HYDROCHLORIDE
- 5,7-Dimethyl-3,6-dihydro-2H-1,4-diazepine--hydrogen chloride (1/1)
- 16418-18-1
-
- Inchi： 1S/C7H12N2.ClH/c1-6-5-7(2)9-4-3-8-6;/h3-5H2,1-2H3;1H
- InChI Key： MBYPSRSHGADTHG-UHFFFAOYSA-N
- SMILES： Cl.N1CCN=C(C)CC=1C
Computed Properties
- Exact Mass: 160.07700
- Monoisotopic Mass: 160.076726
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 138
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 24.7
Experimental Properties
- Density: 1
- Boiling Point: 181.2°C at 760 mmHg
- Flash Point: 54.7°C
- Refractive Index: 1.524
- PSA: 24.72000
- LogP: 0.98510
2H-1,4-Diazepine,3,6-dihydro-5,7-dimethyl-, hydrochloride (1:1) Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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