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ethyl 3-amino-4,5-dimethyl-1H-pyrrole-2-carboxylate

ethyl 3-amino-4,5-dimethyl-1H-pyrrole-2-carboxylate

CAS: 230646-11-4

Formula: C9H14N2O2

SMILES: CCOC(=O)C1=C(N)C(C)=C(C)N1

IUPAC: ethyl 3-amino-4,5-dimethyl-1H-pyrrole-2-carboxylate

InChI: InChI=1S/C9H14N2O2/c1-4-13-9(12)8-7(10)5(2)6(3)11-8/h11H,4,10H2,1-3H3

Composition: C (59.32%), H (7.74%), N (15.37%), O (17.56%)

Molar Mass: 182.223

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 182.105527699
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey RUCKEQXDHWOWNP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.36
Topological Polar Surface Area 68.11
Polarizability 18.99
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 230646-11-4 $2,520.00-$3,240.00$2,520.00$3,240.00
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