3-amino-2-methylquinazolin-4(3H)-one

HCID 237591
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1898-06-2
Standard SMILES
Cc1nc2ccccc2c(=O)n1N
InChIKey
IQOUPYQSZBDNAW-UHFFFAOYSA-N
Molecular formula
C9H9N3O
Average molar mass
175.19 g/mol
Monoisotopic mass
175.07456192

Names & identifiers

Preferred name
3-amino-2-methylquinazolin-4(3H)-one
IUPAC
3-amino-2-methylquinazolin-4-one
English name
2-Methyl-3-amino-4-quinazolone
Molecular formula
C9H9N3O
Molecular weight
175.19

Names & synonyms

3-amino-2-methylquinazolin-4(3H)-oneDTXSID10285285RefChem:1067297DTXCID302364361898-06-22-Methyl-3-amino-4-quinazolone3-amino-2-methylquinazolin-4-one3-amino-2-methyl-3,4-dihydroquinazolin-4-one4(3H)-Quinazolinone, 3-amino-2-methyl-3-Amino-2-methyl-4(3H)quinazolinoneMFCD001142533-Amino-2-methyl-4(3H)-quinazolinone
Show more names
NSC 41279NSC 525988AKOS B028736AKOS AU36-M15Oprea1_244232ASISCHEM W61338IFLAB-BB F0307-06823-Amino-2-methyl-4(3H<
MLS000056931CHEMBL11631523-Amino-2-methyl-4-quinazoloneSMR0000663833-amino-2-methyl-3-hydroquinazolin-4-oneSR-01000388914NSC41279Opera_ID_585

Database identifiers

CAS
1898-06-2
PubChem CID
237591
DTXSID
DTXSID10285285
ChEMBL
CHEMBL1163152
EC Number
624-564-8
Nikkaji
J722.368D

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
58.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
13

Physicochemical properties

Melting point
149 · 149-152 °C(lit.)
Boiling point
348.1 · 348.1±25.0 °C(Predicted)
Density
1.35 · 1.35±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C, protect from light
pka
-0.13 · -0.13±0.70(Predicted)
form
solid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Applications · 2 items

Uses3-Amino-2-methyl-4(3H)quinazolinone may be used to synthesize:2-methyl-3-[3′-aminophthalimido]-4(3H)-quinazolinone2-alkyl-3-(methylamino)-4(3H)-quinazolinone3-amino-2-chloromethyl-4(3H)-quinazolinone

General Description3-Amino-2-methyl-4(3H)quinazolinone is a quinazoline derivative. 2-Methyl-3,1-benzoxazin-4-one undergoes condensation reaction with hydrazine hydrate to yield 3-amino-2-methyl-4(3H)quinazolinone. It undergoes condensation with various substituted aldehydes to afford Schiff′s bases.

Suppliers30 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南英田生物科技有限公司0370-4053511; 18339993703 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

Loading…