3-(benzenesulfonyl)propan-1-amine hydrochloride

3-(benzenesulfonyl)propan-1-amine hydrochloride

CAS: 98510-51-1

Formula: C9H14ClNO2S

SMILES: Cl.NCCCS(=O)(=O)C1=CC=CC=C1

IUPAC: 3-(benzenesulfonyl)propan-1-amine hydrochloride

InChI: InChI=1S/C9H13NO2S.ClH/c10-7-4-8-13(11,12)9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8,10H2;1H

Composition: C (45.86%), H (5.99%), Cl (15.04%), N (5.94%), O (13.57%), S (13.60%)

Molar Mass: 235.73

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.0433776
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NRQOXYYYKSXJAC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.79
Topological Polar Surface Area	60.16
Polarizability	21.51
Ring Count	1
Rotatable Bond Count	4

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Life Chemicals USA, Inc.

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95%	<7 Days	98510-51-1		$113.85-$1,400.85$113.85$158.40$229.68$524.70$990.00$1,400.85

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Key Organics Ltd

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Struchem co.,ltd

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95%	<5 Days	98510-51-1		$1,760.00-$3,190.00$1,760.00$2,596.00$3,190.00