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4-(quinazolin-4-ylamino)butanoic acid

4-(quinazolin-4-ylamino)butanoic acid

CAS: 405920-58-3

Formula: C12H13N3O2

SMILES: OC(=O)CCCNC1=C2C=CC=CC2=NC=N1

IUPAC: 4-[(quinazolin-4-yl)amino]butanoic acid

InChI: InChI=1S/C12H13N3O2/c16-11(17)6-3-7-13-12-9-4-1-2-5-10(9)14-8-15-12/h1-2,4-5,8H,3,6-7H2,(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 FHHCHTZOXDMJJY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.85
Topological Polar Surface Area 75.11
Polarizability 25.06
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 405920-58-3 $213.90-$330.48$213.90$330.48
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