3-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]aniline

3-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]aniline

CAS: 31661-59-3

Formula: C16H12N2

SMILES: NC1=CC(=CC=C1)C#CC#CC1=CC(N)=CC=C1

IUPAC: 3-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]aniline

InChI: InChI=1S/C16H12N2/c17-15-9-3-7-13(11-15)5-1-2-6-14-8-4-10-16(18)12-14/h3-4,7-12H,17-18H2

Composition: C (82.73%), H (5.21%), N (12.06%)

Molar Mass: 232.286

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	232.100048394
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	FMZHYPYMCCZVCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.86
Topological Polar Surface Area	52.04
Polarizability	27.4
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	31661-59-3		$61.79-$808.30$61.79$90.79$213.11$808.30