| CAS Number | 1013-37-2 |
| Catalog Number | AG01A8J9(AGN-PC-0OQJF4) |
| Chemical Name | N-(2-Aminoethyl)quinazolin-4-amine |
| IUPAC Name | N'-quinazolin-4-ylethane-1,2-diamine |
| InChI | InChI=1S/C10H12N4/c11-5-6-12-10-8-3-1-2-4-9(8)13-7-14-10/h1-4,7H,5-6,11H2,(H,12,13,14) |
| InChI Key | HHIMHGQBYIQLKK-UHFFFAOYSA-N |
| MDL Number | MFCD12798217 |
| Molecular Formula | C10H12N4 |
| Molecular Weight | 188.2291 |
| NSC Number | 403389 |
| SMILES | NCCNC1=C2C(C=CC=C2)=NC=N1 |
| Synonyms | N-(2-aminoethyl)quinazolin-4-amine,
1013-37-2,
NSC403389,
1,2-Ethanediamine, N1-4-quinazolinyl-,
AC1Q54M3,
DTXSID40323225,
AC1L8395,
ZINC1595632,
AKOS009144814,
MCULE-2998855662,
N'-quinazolin-4-ylethane-1,2-diamine,
NE57528,
NSC-403389,
N1-(quinazolin-4-yl)ethane-1,2-diamine,
EN300-61739,
CID345659,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.234g/mol |
| Monoisotopic Mass | 188.106g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number