3-(4-nitrophenyl)propan-1-amine

3-(4-nitrophenyl)propan-1-amine

CAS: 80258-61-3

Formula: C9H12N2O2

SMILES: NCCCC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 3-(4-nitrophenyl)propan-1-amine

InChI: InChI=1S/C9H12N2O2/c10-7-1-2-8-3-5-9(6-4-8)11(12)13/h3-6H,1-2,7,10H2

Composition: C (59.99%), H (6.71%), N (15.55%), O (17.76%)

Molar Mass: 180.207

Atom Count: 25

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.089877634
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WEAIFQNRMFIGTR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.21
Topological Polar Surface Area	69.16
Polarizability	19.16
Ring Count	1
Rotatable Bond Count	4

Suppliers

Acrotein ChemBio Inc.,

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	80258-61-3		$172.80-$775.68$172.80$258.24$775.68