Cas no 176773-07-2 (4(3H)-Pyrimidinimine,(E)- (9CI))
176773-07-2 structure
Product Name:4(3H)-Pyrimidinimine,(E)- (9CI)
4(3H)-Pyrimidinimine,(E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 4(3H)-Pyrimidinimine,(E)- (9CI)
- 4(3H)-Pyrimidinimine, (E)- (9CI)
- NSC 401236
- BS-3732
- UNII-BU3262X8CZ
- BP-10054
- 4(1H)-Pyrimidinimine (9CI)
- 4-amino-pyrimidine
- GEO-00208
- 4-Amino pyrimidine
- 163133-86-6
- BDBM50354822
- AKOS000505580
- 176773-06-1
- AC-6952
- BCP06825
- 176772-96-6
- 163133-87-7
- NSC-401236
- Pyrimidine, 4-amino-
- J-524136
- PB11581
- MFCD00006112
- InChI=1/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7
- 4-Pyrimidinamine
- Pyrimidine, 4-amino-,
- 4(1H)-Pyrimidinimine, (E)- (9CI)
- FT-0603719
- F0001-1551
- pyrimidine-4-amine
- 6-Aminopyrimidine
- 4(3H)-Pyrimidinimine
- NSC401236
- A8332
- DTXSID10207841
- Q27117918
- 4(3H)-Pyrimidinimine, (Z)- (9CI)
- EN300-21912
- 4-Aminopyrimidine, 98%
- 4-Pyrimidineamine
- SY006845
- 3,4-Dihydro-4-iminopyrimidine
- CHEBI:38616
- CS-W005460
- 4(3H)-Pyrimidinimine (9CI)
- CHEMBL302453
- 4-Aminopyrimidine
- BU3262X8CZ
- 6-imino-1,6-dihydropyrimidine
- Pyrimidin-4-ylamine
- AM20100438
- 591-54-8
- pyrimidin-4-yl-amine
- WLN: T6N CNJ DZ
- pyrimidin-4-amine
- 176773-07-2
- SB10148
- Pyrimidin-4(1H)-imine
-
- Inchi： 1S/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7)
- InChI Key： OYRRZWATULMEPF-UHFFFAOYSA-N
- SMILES： N1C=NC=CC=1N
Computed Properties
- Exact Mass: 95.04845
- Monoisotopic Mass: 95.048347172g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 54.9
- 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: -0.2
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 48.24
4(3H)-Pyrimidinimine,(E)- (9CI) Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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