| CAS Number | 31408-23-8 |
| Catalog Number | AG00CMCW(AGN-PC-0NIO7N) |
| Chemical Name | 2-Pyrimidinamine, 5-Phenyl- (9CI) |
| IUPAC Name | 5-phenylpyrimidin-2-amine |
| InChI | InChI=1S/C10H9N3/c11-10-12-6-9(7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13) |
| InChI Key | JYGOFGJNWGAPAN-UHFFFAOYSA-N |
| MDL Number | MFCD01646362 |
| Molecular Formula | C10H9N3 |
| Molecular Weight | 171.1986 |
| SMILES | NC1=NC=C(C2=CC=CC=C2)C=N1 |
| Synonyms | 31408-23-8,
5-PHENYLPYRIMIDIN-2-AMINE,
2-Pyrimidinamine, 5-phenyl-,
2-AMINO-5-PHENYLPYRIMIDINE,
SCHEMBL398019,
5-phenyl- Pyrimidin -2-amine,
CTK1B9780,
DTXSID60492447,
ZINC5775813,
MFCD01646362,
2-Pyrimidinamine, 5-phenyl- (9CI),
AKOS003607036,
AB09623,
BC269565,
Z1992316407,
2-Pyrimidinamine,5-phenyl-,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.203g/mol |
| Monoisotopic Mass | 171.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number