2-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]amino}butan-1-ol

2-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]amino}butan-1-ol

Formula: C14H21N3O3

SMILES: CCC(CO)NC1=CC(=CC=C1[N+]([O-])=O)N1CCCC1

IUPAC: 2-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]amino}butan-1-ol

InChI: InChI=1/C14H21N3O3/c1-2-11(10-18)15-13-9-12(16-7-3-4-8-16)5-6-14(13)17(19)20/h5-6,9,11,15,18H,2-4,7-8,10H2,1H3

Composition: C (60.20%), H (7.58%), N (15.04%), O (17.18%)

Molar Mass: 279.34

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	279.158291548
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WSSYNPCTWSQLQV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.78
Topological Polar Surface Area	78.64
Polarizability	29.11
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C14H21N3O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00