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STOCK5S-92636 structure

STOCK5S-92636 structure

STOCK5S-92636

: Iupac Name：6-amino-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1H-pyrimidin-4-one; CAS No.: 882399-24-8; Molecular Weight：242.282; Modify Date.: 2022-11-23 05:51

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1. Names and Identifiers

: 1.1 Name; STOCK5S-92636; 1.2 Synonyms; 4(3h)-pyrimidinone, 6-amino-2-(3,4-dihydro-2(1h)-isoquinolinyl)- 6-amino-2-(2-1,2,3,4-tetrahydroisoquinolyl)-3-hydropyrimidin-4-one 6-amino-2-(3,4-dihydro-1h-isoquinolin-2-yl)-1h-pyrimidin-4-one 6-amino-2-(3,4-dihydro-1h-isoquinolin-2-yl)-3h-pyrimidin-4-one 6-amino-2-(3,4-dihydroisoquinolin-2(1h)-yl)pyrimidin-4(3h)-one 6-amino-2-(3,4-dihydroisoquinolin-2(1h)-yl)pyrimidin-4-ol AC1MKT4T AK422141 AKOS002270263 AKOS005515995 ALBB-017189 MCULE-5450000195 mfcd06754858 MOLPORT-000-410-501 MOLPORT-000-828-605 R9361 SBB082793 STK594365 STL089013 ZINC8913881 zx-an015877; View all

1.3 CAS No.: 882399-24-8

1.4 CID: 3162772

1.5 Molecular Formula: C13H14N4O (isomer)

1.6 Inchi: InChI=1S/C13H14N4O/c14-11-7-12(18)16-13(15-11)17-6-5-9-3-1-2-4-10(9)8-17/h1-4,7H,5-6,8H2,(H3,14,15,16,18)

1.7 InChIkey: VANVQXDSEVPNTQ-UHFFFAOYSA-N

1.8 Canonical Smiles: C1CN(CC2=CC=CC=C21)C3=NC(=O)C=C(N3)N

1.9 Isomers Smiles: C1CN(CC2=CC=CC=C21)C3=NC(=O)C=C(N3)N

2. Properties

2.1 Density: 1.4±0.1 g/cm3

2.1 Boiling point: 416.6±55.0 °C at 760 mmHg

2.1 Refractive index: 1.723

2.1 Flash Point: 205.7±31.5 °C

2.1 PSA: 70.7

2.1 logP: 0.34

3. Safety and Handling

3.1 Hazard Class: IRRITANT

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Directory

1. Names and Identifiers

: 1.1 Name; 1.2 Synonyms; 1.3 CAS No.; 1.4 CID; 1.5 Molecular Formula; 1.6 Inchi; 1.7 InChIkey; 1.8 Canonical Smiles; 1.9 Isomers Smiles

2. Properties

: 2.1 Density; 2.1 Boiling point; 2.1 Refractive index; 2.1 Flash Point; 2.1 PSA; 2.1 logP

3. Safety and Handling

: 3.1 Hazard Class

4.Recommended Suppliers