| CAS Number | 1454256-90-6 |
| Catalog Number | AG00AS4X |
| Chemical Name | N-benzyl-2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine |
| IUPAC Name | N-benzyl-2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine |
| InChI | InChI=1S/C15H16ClN3/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2,(H,17,18,19) |
| InChI Key | ZKGXJLHTIYLMIJ-UHFFFAOYSA-N |
| MDL Number | MFCD30721682 |
| Molecular Formula | C15H16ClN3 |
| Molecular Weight | 273.7606 |
| SMILES | Clc1nc2CCCCc2c(NCc2ccccc2)n1 |
| Synonyms | N-benzyl-2-chloro-5,6,7,8-tetrahydroquinazolin-4-amine,
1454256-90-6,
SCHEMBL2588501,
ZKGXJLHTIYLMIJ-UHFFFAOYSA-N,
CS-0062079,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.764g/mol |
| Monoisotopic Mass | 273.103g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number