Cas no 646059-98-5 (3-Picenamine)
3-Picenamine structure
Product Name:3-Picenamine
CAS No:646059-98-5
MF:C22H15N
MW:293.361205339432
CID:421571
PubChem ID:60042396
Update Time:2025-04-19
3-Picenamine Chemical and Physical Properties
Names and Identifiers
-
- 3-Picenamine
- picen-3-amine
- 646059-98-5
- DTXSID10733534
- SCHEMBL6426697
-
- Inchi： 1S/C22H15N/c23-16-7-10-18-15(13-16)6-9-22-20(18)12-11-19-17-4-2-1-3-14(17)5-8-21(19)22/h1-13H,23H2
- InChI Key： NSJJPJYWWKAYMQ-UHFFFAOYSA-N
- SMILES： NC1C=CC2=C(C=1)C=CC1C2=CC=C2C3C=CC=CC=3C=CC=12
Computed Properties
- Exact Mass: 293.12055
- Monoisotopic Mass: 293.120449483g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 432
- 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: 6
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
3-Picenamine Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
646059-98-5 (3-Picenamine) Related Products
- 2243-62-1(naphthalene-1,5-diamine)
- 1606-67-3(1-Aminopyrene)
- 613-13-8(2-Aminoanthracene)
- 14923-84-3(1,6-Pyrenediamine)
- 3366-65-2(Phenanthren-2-amine)
- 1892-54-2(Phenanthren-3-amine)
- 947-73-9(9-Aminophenanthrene)
- 91-59-8(naphthalen-2-amine)
- 17075-03-5(4-Aminopyrene)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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