2-Chloro-6,7-dimethoxy-4-quinazolinamine
Basic information
- CAS
23680-84-4- Standard SMILES
COc1cc2nc(Cl)nc(N)c2cc1OC- InChIKey
HWIIAAVGRHKSOJ-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3O2
- Average molar mass
- 239.66 g/mol
- Monoisotopic mass
- 239.0461543
Names & identifiers
- Preferred name
- 2-Chloro-6,7-dimethoxy-4-quinazolinamine
- IUPAC
- 2-chloro-6,7-dimethoxyquinazolin-4-amine
- English name
- 2-Chloro-4-amino-6,7-dimethoxyquinazoline
- Molecular formula
- C10H10ClN3O2
- Molecular weight
- 239.66
Names & synonyms
23680-84-44-Amino-2-chloro-6,7-dimethoxyquinazoline2-Chloro-6,7-dimethoxyquinazolin-4-amine2-Chloro-4-amino-6,7-dimethoxyquinazoline2-Chloro-6,7-dimethoxy-4-quinazolinamine4-Quinazolinamine, 2-chloro-6,7-dimethoxy-DTXSID3057694FG7Z4T71Y4EINECS 245-821-7DTXCID4031483EC 245-821-7DOXAZOSIN MESILATE IMPURITY F [EP IMPURITY]
Show more names
QUINAZOLINAMINEACDQTerazosin-0012-Chloro-4-AMino-6TIMTEC-BB SBB000787Prazosin EP Impurity A7-DiMethoxy-Quinazoline
PRAZOSIN HYDROCHLORIDE IMPURITY A [EP IMPURITY]QUINAZOLINE, 4-AMINO-2-CHLORO-6,7-DIMETHOXY-ALFUZOSIN HYDROCHLORIDE IMPURITY B [EP IMPURITY]TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY A [EP IMPURITY]DOXAZOSIN MESILATE IMPURITY F (EP IMPURITY)PRAZOSIN HYDROCHLORIDE IMPURITY A (EP IMPURITY)ALFUZOSIN HYDROCHLORIDE IMPURITY B (EP IMPURITY)TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY A (EP IMPURITY)
Database identifiers
- CAS
23680-84-4- PubChem CID
- 90235
- DTXSID
DTXSID3057694- ChEMBL
CHEMBL3561187- UNII
- FG7Z4T71Y4
- EC Number
- 245-821-7
- Nikkaji
- J86.521D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 244
Physicochemical properties
- Melting point
- 262 · 262-268 °C (dec.)(lit.)
- Boiling point
- 374 · 374.0±42.0 °C(Predicted)
- Density
- 1.5062 · 1.5062 (rough estimate)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Sparingly, Heated), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 4.35 · 4.35±0.30(Predicted)
- color
- White to Off-White
- Water Solubility
- 1.418 g/L · 1.418g/L at 25℃
- BRN
- 747463 · 747463
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14)
- InChIKey
- HWIIAAVGRHKSOJ-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (37.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 146 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-chloro-6,7-dimethoxyquinazolin-4-amine (EC: 245-821-7)
Hazard Classes and CategoriesAcute Tox. 4 (37.7%)
Safety data
- F
- 10
- wgk
- 3
- hs_code
- 29339900
- risk_code
- 36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36-37/39
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
Chemistry & industry
Applications
UsesIntermediate in the production on Terazosin.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
150 records
Compound notes
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