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2-{[(4-methylphenyl)methyl]amino}butan-1-ol

2-{[(4-methylphenyl)methyl]amino}butan-1-ol

Formula: C12H19NO

SMILES: CCC(CO)NCC1=CC=C(C)C=C1

IUPAC: 2-{[(4-methylphenyl)methyl]amino}butan-1-ol

InChI: InChI=1/C12H19NO/c1-3-12(9-14)13-8-11-6-4-10(2)5-7-11/h4-7,12-14H,3,8-9H2,1-2H3

Composition: C (74.57%), H (9.91%), N (7.25%), O (8.28%)

Molar Mass: 193.29

Atom Count: 33

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 193.146664236
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey FNVZESNQKGUUGN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.58
Topological Polar Surface Area 32.26
Polarizability 23.47
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C12H19NO $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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