chempirical

1,2,3,4-Tetrahydroisoquinoline-3-carboxamide

C10H12N2OCAS 112794-29-3176.22 g/mol

Open in Covalent MOL file
H2NOHN
Secondary amine

Properties

Molecular formula
C10H12N2O
Molar mass
176.22 g/mol
Exact mass
176.0950 Da
Melting point
162–163 °C
logP
1.24Crippen estimate
Polar surface area
56.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
112794-29-3
SMILES
N=C(O)C1Cc2ccccc2CN1
InChIKey
JFMNKDRNEZZRBW-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-4,9,12H,5-6H2,(H2,11,13)

Weigh it out

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

Names and synonyms

3 names
  • 1,2,3,4-Tetrahydro-3-isoquinolinecarboxamide
  • 3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-
  • 1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid amide

Work with 1,2,3,4-Tetrahydroisoquinoline-3-carboxamide

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 acid103733-65-961 % similar 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid67123-97-161 % similar (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid74163-81-861 % similar 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride41994-51-856 % similar (3S)-N-(1,1-Dimethylethyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide149182-72-952 % similar Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate57060-86-349 % similar (S)-1,2,3,4-Tetrahydro-3-isoquinolinemethanol18881-17-946 % similar Methyl 1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride57060-88-545 % similar

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

Same formula

1H-Benzimidazole-2-propanol2403-66-9 6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde261715-39-3 4-Methyl-1-phenyl-3-pyrazolidone2654-57-1 1-Acetyl-5-amino-2,3-dihydro-(1H)-indole4993-96-8 Serotonin50-67-9 3-Phenylpiperazin-2-one5368-28-5 3-Dimethylamino-1-(3-pyridyl)-2-propen-1-one55314-16-4 4,5-Dihydro-4,4-dimethyl-2-(3-pyridyl)oxazole68981-86-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook