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3-[(6-methylquinazolin-4-yl)amino]propanoic acid

3-[(6-methylquinazolin-4-yl)amino]propanoic acid

CAS: 405920-60-7

Formula: C12H13N3O2

SMILES: CC1=CC2=C(NCCC(O)=O)N=CN=C2C=C1

IUPAC: 3-[(6-methylquinazolin-4-yl)amino]propanoic acid

InChI: InChI=1S/C12H13N3O2/c1-8-2-3-10-9(6-8)12(15-7-14-10)13-5-4-11(16)17/h2-3,6-7H,4-5H2,1H3,(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 0
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 NNCKPXTUKVSBID-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.13
Topological Polar Surface Area 75.11
Polarizability 24.98
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 405920-60-7 $404.27$404.27
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