Basic information
- CAS
1899-40-7- Standard SMILES
Nc1nc(N)c2c(n1)CCCC2- InChIKey
ILYYGQJVLQUTAM-UHFFFAOYSA-N- Molecular formula
- C8H12N4
- Average molar mass
- 164.21 g/mol
- Monoisotopic mass
- 164.1061964
Names & identifiers
- Preferred name
- 5,6,7,8-Tetrahydroquinazoline-2,4-diamine
- IUPAC
- 5,6,7,8-tetrahydroquinazoline-2,4-diamine
- English name
- 5,6,7,8-tetrahydroquinazoline-2,4-diamine
- Molecular formula
- C8H12N4
- Molecular weight
- 164.21
Names & synonyms
5,6,7,8-Tetrahydroquinazoline-2,4-diamine1899-40-7F0777-03935,6,7,8-Tetrahydro-quinazoline-2,4-diamine2,4-diamino-5,6,7,8-tetrahydroquinazolineNSC33682EINECS 217-594-4AI3-503375,6,7,8-tetrahydro-2,4-quinazolinediamineOprea1_357965Oprea1_387932MLS000688355
Show more names
2,4-Quinazolinediamine, 5,6,7,8-tetrahydro-
CHEMBL269317SCHEMBL3563842DTXSID60172414ILYYGQJVLQUTAM-UHFFFAOYSA-NHMS1607H16HMS2774N09SMSSF-0060797NSC 33682
Database identifiers
- CAS
1899-40-7- PubChem CID
- 74696
- DTXSID
DTXSID60172414- ChEMBL
CHEMBL269317- EC Number
- 217-594-4
- Nikkaji
- J39.653B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Experimental & physicochemical properties
Solubility17.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 240 · 240-242 °C
- Boiling point
- 445.2 · 445.2±55.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- pka
- 8.08 · 8.08±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
Uses5,6,7,8-Tetrahydroquinazoline-2,4-diamine-15N3 is an isotopically labelled analog of 5,6,7,8-Tetrahydroquinazoline-2,4-diamine (CAS# 1899-40-7), which is a potent inhibitor of dihydrofolate reductase (DHFR).
Suppliers2 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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