benzyl 3-aminobutanoate hydrochloride

benzyl 3-aminobutanoate hydrochloride

CAS: 1423029-31-5

Formula: C11H16ClNO2

SMILES: Cl[H].CC(N)CC(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-aminobutanoate hydrochloride

InChI: InChI=1/C11H15NO2.ClH/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10;/h2-6,9H,7-8,12H2,1H3;1H

Composition: C (57.52%), H (7.02%), Cl (15.43%), N (6.10%), O (13.93%)

Molar Mass: 229.7

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	229.0869565
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FFGHYYGPFHLTRD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.5
Topological Polar Surface Area	52.32
Polarizability	21.82
Ring Count	1
Rotatable Bond Count	5

Suppliers

Acrotein ChemBio Inc.,

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1423029-31-5		$120.96-$602.88$120.96$361.92$602.88