Cas no 57614-62-7 (1H-Indazole-1-propanamine, 3-phenyl-)
57614-62-7 structure
Product Name:1H-Indazole-1-propanamine, 3-phenyl-
CAS No:57614-62-7
MF:C16H17N3
MW:251.326283216476
CID:344823
PubChem ID:13706079
Update Time:2025-04-19
1H-Indazole-1-propanamine, 3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indazole-1-propanamine, 3-phenyl-
- 3-(3-phenylindazol-1-yl)propan-1-amine
- 57614-62-7
- DTXSID70547235
- 3-(3-Phenyl-1H-indazol-1-yl)propan-1-amine
- SCHEMBL11841385
-
- Inchi： 1S/C16H17N3/c17-11-6-12-19-15-10-5-4-9-14(15)16(18-19)13-7-2-1-3-8-13/h1-5,7-10H,6,11-12,17H2
- InChI Key： QMRUKUGSNLZWDL-UHFFFAOYSA-N
- SMILES： N1(C2C=CC=CC=2C(C2C=CC=CC=2)=N1)CCCN
Computed Properties
- Exact Mass: 251.14241
- Monoisotopic Mass: 251.142247555g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 275
- 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: 2.6
- Topological Polar Surface Area: 43.8?2
Experimental Properties
- PSA: 43.84
1H-Indazole-1-propanamine, 3-phenyl- Related Literature
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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