Quinazolin-2-amine

HCID 178508286CAS 1687-51-0
Substructure searchFind similar structures

Basic information

Standard SMILES
N=c1ncc2ccccc2[nH]1
InChIKey
CZAAKPFIWJXPQT-UHFFFAOYSA-N
Molecular formula
C8H7N3
Average molar mass
145.16 g/mol
Monoisotopic mass
145.06399724

Names & identifiers

Preferred name
Quinazolin-2-amine
IUPAC
quinazolin-2-amine
English name
2-Quinazolinamine
Molecular formula
C8H7N3
Molecular weight
145.16

Names & synonyms

quinazolin-2-amineRefChem:871926675-051-02-Aminoquinazoline1687-51-02-QuinazolinamineQuinazolin-2-ylamineQuinazoline, 2-amino-MFCD00956186CHEMBL1879512-amino quinazolinequinazolinimine
Show more names
2-Quinazolinamine (9CI)quinazolin-2-amine - [Q83533]2-Aminoquinazoline, CAS 1687-51-0
aminoquinazolineiminoquinazolineSCHEMBL41506SCHEMBL787953SCHEMBL1568727SCHEMBL1694903SCHEMBL4843211SCHEMBL5251836

Database identifiers

CAS
1687-51-0
PubChem CID
519332

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
51.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

Kovats Retention Index1748

Physicochemical properties

Melting point
204 °C · 204 °C
Boiling point
370.7 · 370.7±25.0 °C(Predicted)
Density
1.292 · 1.292±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
form
solid
pka
4.86 · 4.86±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 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 CategoriesAcute Tox. 4 (100%)；Eye Irrit. 2A (97.6%)

Safety data

hs_code
2933599590
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H332-H335
Precautionary statements
P261-P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers50 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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