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2-[(thiophen-3-ylmethyl)amino]butan-1-ol hydrochloride

2-[(thiophen-3-ylmethyl)amino]butan-1-ol hydrochloride

CAS: 1049713-29-2

Formula: C9H16ClNOS

SMILES: Cl.CCC(CO)NCC1=CSC=C1

IUPAC: 2-{[(thiophen-3-yl)methyl]amino}butan-1-ol hydrochloride

InChI: InChI=1/C9H15NOS.ClH/c1-2-9(6-11)10-5-8-3-4-12-7-8;/h3-4,7,9-11H,2,5-6H2,1H3;1H

Composition: C (48.75%), H (7.27%), Cl (15.99%), N (6.32%), O (7.22%), S (14.46%)

Molar Mass: 221.74

Atom Count: 29

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 221.064113
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ULIIEARHQMTCMI-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.65
Topological Polar Surface Area 32.26
Polarizability 20.33
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1049713-29-2 $58.65$58.65
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