Cas no 4176-46-9 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- benzo[g]phenanthren-3-amine
- 3-Amino-(3,4-benzphenanthren)
- 3-aminobenzo[c]phenanthrene
- 3-Amino-benzo< c> phenanthren
- 3-aminobenzo< c> phenanthrene
- 3-Benzo< c> phenantrylamin
- AC1L69DR
- AC1Q1IMW
- AR-1H9005
- Benzo[c]phenanthren-3-amine
- Benzo[c]phenanthrene, 4-amino
- CTK1D6967
- NSC97679
- DTXSID40294709
- SCHEMBL20407332
- Benzo(c)phenanthren-3-amine
- 4176-46-9
- LCFRRGUSWQKBIE-UHFFFAOYSA-N
- 3-Benzo[c]phenanthrenamine
- NSC-97679
-
-
- Inchi： 1S/C18H13N/c19-15-9-10-17-14(11-15)8-7-13-6-5-12-3-1-2-4-16(12)18(13)17/h1-11H,19H2
- InChI Key： LCFRRGUSWQKBIE-UHFFFAOYSA-N
- SMILES： NC1C=CC2C(C=1)=CC=C1C=CC3C=CC=CC=3C=21
Computed Properties
- Exact Mass: 243.10489
- Monoisotopic Mass: 243.104799419g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 326
- 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: 4.8
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
- LogP: 5.30960
Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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