| CAS Number | 1008675-41-9 |
| Catalog Number | AG00031L(AGN-PC-0WB4UZ) |
| Chemical Name | N-4-quinazolinylnorvaline |
| IUPAC Name | 2-(quinazolin-4-ylamino)pentanoic acid |
| InChI | InChI=1S/C13H15N3O2/c1-2-5-11(13(17)18)16-12-9-6-3-4-7-10(9)14-8-15-12/h3-4,6-8,11H,2,5H2,1H3,(H,17,18)(H,14,15,16) |
| InChI Key | QNGCVTKJHOBMQR-UHFFFAOYSA-N |
| MDL Number | MFCD04064782 |
| Molecular Formula | C13H15N3O2 |
| Molecular Weight | 245.2771 |
| SMILES | C1(=NC=NC2=CC=CC=C12)NC(CCC)C(O)=O |
| Synonyms | 2-(quinazolin-4-ylamino)pentanoic Acid,
N-4-QUINAZOLINYLNORVALINE,
1008675-41-9,
AC1MNPUO,
2-[(quinazolin-4-yl)amino]pentanoic acid,
Oprea1_602094,
HMS1615F14,
ZX-CM017423,
MFCD04064782,
SBB015749,
2-(4-quinazolinylamino)pentanoic acid,
AKOS000272950,
AKOS016040497,
IMED600582485,
CCG-115164,
MCULE-5793310423,
Y-1168,
SR-01000112757,
SR-01000112757-1,
CID3356607,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.282g/mol |
| Monoisotopic Mass | 245.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number