4-[(1S)-1-aminoethyl]benzoic acid

4-[(1S)-1-aminoethyl]benzoic acid

CAS: 222714-33-2

Formula: C9H11NO2

SMILES: C[C@H](N)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-[(1S)-1-aminoethyl]benzoic acid

InChI: InChI=1S/C9H11NO2/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6H,10H2,1H3,(H,11,12)/t6-/m0/s1

Composition: C (65.44%), H (6.71%), N (8.48%), O (19.37%)

Molar Mass: 165.192

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	165.078978598
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NDMBVGSUFFPAFE-LURJTMIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.21
Topological Polar Surface Area	63.32
Polarizability	17.85
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	222714-33-2		$15.53-$489.56$15.53$34.16$51.75$246.33$489.56

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	222714-33-2		$43.70$43.70

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	222714-33-2		$31.53-$121.06$31.53$121.06

J&W PHARMLAB LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
96%	<2 Days	222714-33-2		$97.75-$552.00$97.75$101.20$112.70$125.35$138.00$552.00

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	222714-33-2		$615.60$615.60