chempirical

4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol

C11H13NOCAS 69088-96-6175.23 g/mol

Open in Covalent MOL file
OHNH2
AlcoholAlkynePrimary amine

Properties

Molecular formula
C11H13NO
Molar mass
175.23 g/mol
Exact mass
175.0997 Da
Melting point
117–118 °C
logP
1.39Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
69088-96-6
SMILES
CC(C)(O)C#Cc1cccc(N)c1
InChIKey
DQPSETABKZMTEZ-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 3-Butyn-2-ol, 4-(3-aminophenyl)-2-methyl-
  • 1-(3-Aminophenyl)-3-hydroxy-3-methyl-1-butyne
  • M-APACB
  • 3-(3-Hydroxy-3-methylbutyn-1-yl)aniline
  • 2-Methyl-4-(3-aminophenyl)-3-butyn-2-ol

Work with 4-(3-Aminophenyl)-2-methyl-3-butyn-2-ol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Aminobenzonitrile2237-30-144 % similar 3-Ethynylaniline54060-30-944 % similar 3-(1,1-Dimethylethyl)benzenamine5369-19-741 % similar M-Phenylenediamine108-45-239 % similar M-Toluidine108-44-136 % similar 3-Aminophenol591-27-536 % similar 2,5-Dimethyl-3-hexyne-2,5-diol142-30-335 % similar M-Phenylenediamine hydrochloride541-69-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Ethyl-1-methyl-1,3-dihydro-2H-indol-2-one2525-35-1 Indole-3-propanol3569-21-9 4-(1-Pyrrolidinyl)benzaldehyde51980-54-2 4-Butoxybenzonitrile5203-14-5 1-Benzyl-2-pyrrolidinone5291-77-0 4-(Dimethylamino)cinnamaldehyde6203-18-5 1-(Phenylmethyl)-3-pyrrolidinone775-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook