| CAS Number | 19808-34-5 |
| Catalog Number | AG002BAE(AGN-PC-0043R5) |
| Chemical Name | 5-Chloroquinazolin-4-amine |
| IUPAC Name | 5-chloroquinazolin-4-amine |
| InChI | InChI=1S/C8H6ClN3/c9-5-2-1-3-6-7(5)8(10)12-4-11-6/h1-4H,(H2,10,11,12) |
| InChI Key | KVMMCMXPOLUVRL-UHFFFAOYSA-N |
| MDL Number | MFCD02323641 |
| Molecular Formula | C8H6ClN3 |
| Molecular Weight | 179.6063 |
| SMILES | NC1=C2C(C=CC=C2Cl)=NC=N1 |
| Synonyms | 5-Chloroquinazolin-4-amine,
19808-34-5,
4-Quinazolinamine, 5-chloro-,
5-chloro-4-quinazolinamine,
4-Amino-5-chloroquinazoline,
Oprea1_869408,
5-chloroquinazoline-4-ylamine,
SCHEMBL8664052,
CTK6H3078,
ZINC5740884,
MFCD02323641,
SBB089588,
AKOS006343069,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.607g/mol |
| Monoisotopic Mass | 179.025g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number