Text Search
Structure Search

2-[(6-methylquinazolin-4-yl)amino]propanoic acid

2-[(6-methylquinazolin-4-yl)amino]propanoic acid

CAS: 1396964-76-3

Formula: C12H13N3O2

SMILES: CC(NC1=C2C=C(C)C=CC2=NC=N1)C(O)=O

IUPAC: 2-[(6-methylquinazolin-4-yl)amino]propanoic acid

InChI: InChI=1/C12H13N3O2/c1-7-3-4-10-9(5-7)11(14-6-13-10)15-8(2)12(16)17/h3-6,8H,1-2H3,(H,16,17)(H,13,14,15)

Composition: C (62.33%), H (5.67%), N (18.17%), O (13.84%)

Molar Mass: 231.255

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 231.100776671
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey XLROUBUFLBZGKO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.93
Topological Polar Surface Area 75.11
Polarizability 24.98
Ring Count 2
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1396964-76-3 $404.27$404.27
Request Quote