chempirical

(S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol

C10H13NOCAS 18881-17-9163.22 g/mol

Open in Covalent MOL file
HOHN
AlcoholSecondary amine

Properties

Molecular formula
C10H13NO
Molar mass
163.22 g/mol
Exact mass
163.0997 Da
Melting point
105–107 °C
logP
0.69Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
18881-17-9
SMILES
OC[C@@H]1Cc2ccccc2CN1
InChIKey
ZSKDXMLMMQFHGW-JTQLQIEISA-N
InChI
InChI=1S/C10H13NO/c12-7-10-5-8-3-1-2-4-9(8)6-11-10/h1-4,10-12H,5-7H2/t10-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (3S)-
  • 3-Isoquinolinemethanol, 1,2,3,4-tetrahydro-, (S)-
  • (3S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol
  • (S)-3-Hydroxymethyl-1,2,3,4-tetrahydroisoquinoline
  • (S)-(-)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol
  • (S)-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol
  • ((3S)-1,2,3,4-Tetrahydroisoquinolin-3-yl)methanol
  • (3S)-1,2,3,4-Tetrahydroisoquinolin-3-ylmethanol
  • [(3S)-1,2,3,4-Tetrahydroisoquinolin-3-yl]methanol

Work with (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol

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

(3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-946 % similar 1,2,3,4-Tetrahydroisoquinoline-3-carboxamide112794-29-346 % similar 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid67123-97-146 % similar (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid74163-81-846 % similar 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride41994-51-843 % similar 2-Indanol4254-29-940 % similar (3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide149182-72-940 % similar Isoindoline496-12-839 % similar

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

Same formula

6-Methoxy-1,2,3,4-tetrahydroquinoline120-15-0 Formetorex15302-18-8 1-(4-Aminophenyl)-1-butanone1688-71-7 4-Dimethylaminoacetophenone2124-31-4 N-(2,6-Dimethylphenyl)acetamide2198-53-0 N-(3,4-Dimethylphenyl)acetamide2198-54-1 6-Methoxy-1,2,3,4-tetrahydroisoquinoline42923-77-3 2-(Pyrrolidin-1-yl)phenol4787-77-3

Elsewhere

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