Cas no 40497-74-3 ( )
structure
Product Name:
CAS No:40497-74-3
MF:C18H18N4
MW:290.362323284149
CID:925840
PubChem ID:290049
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-N-benzhydrylpyridine-2,3,4-triamine
- AC1L6D28
- AC1Q4YRG
- AR-1K5250
- n4-(diphenylmethyl)pyridine-2,3,4-triamine
- NSC152642
- NSC-152642
- 40497-74-3
- DTXSID90302686
-
-
- Inchi： 1S/C18H18N4/c19-16-15(11-12-21-18(16)20)22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,17H,19H2,(H3,20,21,22)
- InChI Key： XYBPHUQXHXSNSN-UHFFFAOYSA-N
- SMILES： N(C1C=CN=C(C=1N)N)C(C1C=CC=CC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 290.15334
- Monoisotopic Mass: 290.153146591g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 305
- 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: 3
- Topological Polar Surface Area: 77?2
Experimental Properties
- PSA: 76.96
- LogP: 4.68290
Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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