6-Chloroquinazolin-4-amine

HCID 320247
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Basic information

CAS
19808-35-6
Standard SMILES
Nc1ncnc2ccc(Cl)cc12
InChIKey
KMYOLSIBCDCWQQ-UHFFFAOYSA-N
Molecular formula
C8H6ClN3
Average molar mass
179.6 g/mol
Monoisotopic mass
179.02502487

Names & identifiers

Preferred name
6-Chloroquinazolin-4-amine
IUPAC
6-chloroquinazolin-4-amine
English name
6-Chloroquinazolin-4-amine
Molecular formula
C8H6ClN3
Molecular weight
179.61

Names & synonyms

6-chloroquinazolin-4-amine19808-35-64-QUINAZOLINAMINE, 6-CHLORO-MFCD026765024-AMINO-6-CHLOROQUINAZOLINE6-CHLORO-4-QUINAZOLINAMINENSC2668614-amino-6-chloro-quinazolineAKOS006229345CS-W020519NSC-266861DS-0342
Show more names
(6-chloroquinazolin-4-yl)amineQuinazoline, 4-amino-6-chloro-
FS-2751Z727613554AMY1718FT-0692866A880002SCHEMBL3337904DTXSID30313175KMYOLSIBCDCWQQ-UHFFFAOYSA-N

Database identifiers

CAS
19808-35-6
PubChem CID
320247
DTXSID
DTXSID30313175
Nikkaji
J1.506.537K

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
12

Physicochemical properties

Melting point
310 °C · >310 °C
Boiling point
363.2 · 363.2±27.0 °C(Predicted)
Density
1.445 · 1.445±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C(protect from light)
form
solid
pka
7.04 · 7.04±0.50(Predicted)

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers42 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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