4-(3-aminophenyl)-2-methylbut-3-yn-2-ol

4-(3-aminophenyl)-2-methylbut-3-yn-2-ol

CAS: 69088-96-6

Formula: C11H13NO

SMILES: CC(C)(O)C#CC1=CC(N)=CC=C1

IUPAC: 4-(3-aminophenyl)-2-methylbut-3-yn-2-ol

InChI: InChI=1S/C11H13NO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8,13H,12H2,1-2H3

Composition: C (75.40%), H (7.48%), N (7.99%), O (9.13%)

Molar Mass: 175.231

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	175.099714043
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	DQPSETABKZMTEZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.26
Topological Polar Surface Area	46.25
Polarizability	20.19
Ring Count	1
Rotatable Bond Count	2

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