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3-{[(2E)-3-phenylprop-2-en-1-yl]amino}propan-1-ol hydrochloride

3-{[(2E)-3-phenylprop-2-en-1-yl]amino}propan-1-ol hydrochloride

CAS: 1159698-09-5

Formula: C12H18ClNO

SMILES: Cl.OCCCNCC=CC1=CC=CC=C1

IUPAC: 3-{[(2E)-3-phenylprop-2-en-1-yl]amino}propan-1-ol hydrochloride

InChI: InChI=1S/C12H17NO.ClH/c14-11-5-10-13-9-4-8-12-6-2-1-3-7-12;/h1-4,6-8,13-14H,5,9-11H2;1H/b8-4+;

Composition: C (63.29%), H (7.97%), Cl (15.57%), N (6.15%), O (7.03%)

Molar Mass: 227.73

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.1076919
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey SDSFPNCJSWOZJV-ZFXMFRGYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.78
Topological Polar Surface Area 32.26
Polarizability 23.31
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1159698-09-5 $58.65-$232.30$58.65$232.30
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