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

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

CAS: 1017196-31-4

Formula: C10H15NO2S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)CCCN

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

InChI: InChI=1S/C10H15NO2S/c1-9-3-5-10(6-4-9)14(12,13)8-2-7-11/h3-6H,2,7-8,11H2,1H3

Composition: C (56.31%), H (7.09%), N (6.57%), O (15.00%), S (15.03%)

Molar Mass: 213.3

Atom Count: 29

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.082349901
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HBQHXXLFHKHRKJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.84
Topological Polar Surface Area	60.16
Polarizability	23.28
Ring Count	1
Rotatable Bond Count	4

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95%	<5 Days	1017196-31-4		$1,600.00-$2,860.00$1,600.00$2,200.00$2,860.00