CAS 35795-13-2 2-Chloro-6,7,8-trimethoxyquinazolin-4-amine (HCID 3015804)

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Basic information

CAS: 35795-13-2
Standard SMILES: COc1cc2c(N)nc(Cl)nc2c(OC)c1OC
InChIKey: ZMGPXECXBVFPBO-UHFFFAOYSA-N
Molecular formula: C11H12ClN3O3
Average molar mass: 269.68 g/mol
Monoisotopic mass: 269.05671892

Names & identifiers

Preferred name: 2-Chloro-6,7,8-trimethoxyquinazolin-4-amine
IUPAC: 2-chloro-6,7,8-trimethoxyquinazolin-4-amine
English name: 2-chloro-6,7,8-trimethoxyquinazolin-4-amine
Molecular formula: C11H12ClN3O3
Molecular weight: 269.68428

Names & synonyms

2-Chloro-6,7,8-trimethoxyquinazolin-4-amineEINECS 252-731-148XA5WAP8R2-Chloro-6,7,8-trimethoxy-4-quinazolinamineDTXSID901893184-QUINAZOLINAMINE, 2-CHLORO-6,7,8-TRIMETHOXYRefChem:86318DTXCID2011180935795-13-2UNII-48XA5WAP8RSCHEMBL9038418NS00029919

Show more names

2-chloro-6,7,8-trimethoxy-4-quinazolinylamine4-amino-2-chloro-6,7,8-trimethoxyquinazoline4-amino-2-chloro-6,7,8-trimethoxy-quinazoline

Database identifiers

CAS: 35795-13-2
PubChem CID: 3015804
DTXSID: DTXSID90189318
UNII: 48XA5WAP8R
EC Number: 252-731-1
Nikkaji: J260.686K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 79.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 284

Physicochemical properties

storage temp.: Room Temperature
solubility: DMSO
form: Solid
color: Colorless
FDA UNII: 48 XA5WAP8R · 48XA5WAP8R

Chemistry & industry

Applications

Uses2-Chloro-6,7,8-trimethoxy-4-quinazolinamine is an intermediate in synthesizing Trimazosin Hydrochloride (T795515), a useful in therapy as potent antihypertensive agents.