Cas no 265-04-3 (1H-1,3,5-Benzotriazepine)
1H-1,3,5-Benzotriazepine structure
Product Name:1H-1,3,5-Benzotriazepine
CAS No:265-04-3
MF:C8H7N3
MW:145.161280870438
CID:1427621
Update Time:2024-08-15
1H-1,3,5-Benzotriazepine Chemical and Physical Properties
Names and Identifiers
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- 1H-1,3,5-Benzotriazepine
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- Inchi： 1S/C8H7N3/c1-2-4-8-7(3-1)10-5-9-6-11-8/h1-6H,(H,9,10,11)
- InChI Key： NQXYPTVFUVTPNV-UHFFFAOYSA-N
- SMILES： N1C2=CC=CC=C2N=CN=C1
Computed Properties
- Exact Mass: 145.06411
Experimental Properties
- Density: 1.22±0.1 g/cm3(Predicted)
- Boiling Point: 299.2±23.0 °C(Predicted)
- PSA: 41.57
- pka: 3.74±0.20(Predicted)
1H-1,3,5-Benzotriazepine Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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