CAS 14097-37-1 2-Methyl-1,2,3,4-tetrahydroisoquinolin-6-amine (HCID 21436741)

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Basic information

CAS: 14097-37-1
Standard SMILES: CN1CCc2cc(N)ccc2C1
InChIKey: PWHRVVMNFQGSJQ-UHFFFAOYSA-N
Molecular formula: C10H14N2
Average molar mass: 162.23 g/mol
Monoisotopic mass: 162.11569845

Names & identifiers

Preferred name: 2-Methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
IUPAC: 2-methyl-3,4-dihydro-1H-isoquinolin-6-amine
English name: 2-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine
Molecular formula: C10H14N2
Molecular weight: 162.23

Names & synonyms

14097-37-12-methyl-1,2,3,4-tetrahydroisoquinolin-6-amine6-Isoquinolinamine, 1,2,3,4-tetrahydro-2-methyl-2-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-6-AMINEMFCD206908181,2,3,4-tetrahydro-2-methyl-6-Isoquinolinamine6-Amino-2-methyl-1,2,3,4-tetrahydroisoquinoline2-Methyl-1,2,3,4-tetrahydro-isoquinolin-6-ylamine2-methyl-1,2,3,4-tetrahydro-6-isoquinolinamineSCHEMBL218317SCHEMBL30561544DTXSID10613867

Show more names

PWHRVVMNFQGSJQ-UHFFFAOYSA-NPAA09737AKOS022890215BS-51699DA-30424SY306195E79715EN300-1272912

Database identifiers

CAS: 14097-37-1
PubChem CID: 21436741
DTXSID: DTXSID10613867
EC Number: 885-005-3

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 158

Physicochemical properties

Melting point: 129 · 129-130 °C
Boiling point: 290.8 · 290.8±40.0 °C(Predicted)
Density: 1.084 · 1.084±0.06 g/cm3(Predicted)
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture and light
pka: 9.03 · 9.03±0.20(Predicted)
Appearance: Off-white to light yellow Solid
InChI: InChI=1S/C10H14N2/c1-12-5-4-8-6-10(11)3-2-9(8)7-12/h2-3,6H,4-5,7,11H2,1H3
InChIKey: PWHRVVMNFQGSJQ-UHFFFAOYSA-N
SMILES: C1C2=C(C=C(N)C=C2)CCN1C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 305 · P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

Uses6-Amino-2-methyl-1,2,3,4-tetrahydroisoquinoline is a useful research chemical used in the preparation of PCC0208017, a novel small-molecule inhibitor of MARK3/MARK4.