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2-Amino-4(1H)-quinazolinone

2-Amino-4(1H)-quinazolinone structure

CAS No:
20198-19-0
Formula:
C8H7N3O
Chemical Name:
2-Amino-4(1H)-quinazolinone
Synonyms:
4(1H)-Quinazolinone,2-amino-;4(3H)-Quinazolinone,2-amino-;4-Quinazolinol,2-amino-;4(1H)-Quinazolinone,2,3-dihydro-2-imino-;2-Amino-4(1H)-quinazolinone;2-Amino-4-quinazolinone;2-Amino-4-hydroxyquinazoline;2-Amino-4-quinazolone;2-Amino-4(3H)-quinazolinone;5,8-dideazapterin;NSC 174024;NSC 51782;2-Amino-1H-quinazolin-4-one;2-Amino-3,4-dihydroquinazolin-4-one;2-Amino-3H-quinazolin-4-one;2-Aminoquinazolin-4-ol;100643-18-3;1791-46-4
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

2-imino-1,2,3,4-tetrahydroquinazolin-4-one is a member of the class of quinazolines that is 1,2,3,4-tetrahydroquinazoline in which the hydrogens at positions 2 and 4 have been replaced by imino and oxo groups, respectively.

2-Amino-4(1H)-quinazolinone Basic Attributes

Molecular Weight：

161.16

Exact Mass：

161.16

NSC Number：

174024|51782

DSSTox ID：

DTXSID60287618

HScode：

2933990090

Characteristics

PSA：

67.5

XLogP3：

0.6

Density：

1.49g/cm3

Melting Point：

315 °C (decomp)

Boiling Point：

358.8°C at 760 mmHg

Flash Point：

170.8ºC

Refractive Index：

1.734

Vapor Pressure：

2.48E-05mmHg at 25°C

Safety Information

hazard class code：

Marks：

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

2-Amino-4(1H)-quinazolinone Use and Manufacturing

1.00 g (4.97mmol) of 2-bromobenzoic acid 44, 2.00 g (9.95 mmol) of guanidine hydrochloride, 6.48 g (19.9 mmol) of cesium carbonate and 95 mg (0.497mmol) of copper(I) iodide were dissolved in 20 ml of abs. DMF and stirred at 110 °C for 24 h. The solvent was distilled off in vacuo and the residue filtered through a short pad of silica gel using methanol as eluent. After recrystallization from ethanol 717 mg (52percent) of 2-aminoquinazolone 10 were obtained as a colorless solid. Mp.: >300°C. A. A.

Computed Properties

Molecular Weight:161.16
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:161.058911855
Monoisotopic Mass:161.058911855
Topological Polar Surface Area:67.5
Heavy Atom Count:12
Complexity:237
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Amino-4(1H)-quinazolinone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

2-Amino-4(1H)-quinazolinone

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