4-Aminotetrahydropyran

HCID 419223CAS 38041-19-9
Substructure searchFind similar structures

Basic information

Standard SMILES
NC1CCOCC1
InChIKey
AHVQYHFYQWKUKB-UHFFFAOYSA-N
Molecular formula
C5H11NO
Average molar mass
101.15 g/mol
Monoisotopic mass
101.08406397

Names & identifiers

Preferred name
4-Aminotetrahydropyran
IUPAC
oxan-4-amine
English name
4-Aminotetrahydropyran
Molecular formula
C5H11NO
Molecular weight
101.15

Names & synonyms

4-Aminotetrahydropyran38041-19-9DTXSID10329299RefChem:290151DTXCID40280400674-322-0tetrahydro-2H-pyran-4-amineoxan-4-aminetetrahydro-pyran-4-ylamine4-Aminotetrahyropyran4-aminotetrahydro-2h-pyran2h-pyran-4-amine, tetrahydro-
Show more names
Tetrahydropyran-4-amineNoe Marioni, M.D., PLLC4-Aminotetrahydropyran?New
MFCD02179436tetrahydro-2h-pyran-4-ylamine2H-3,4,5,6-tetrahydropyran-4-ylamineTetrahydropyran-4-ylamine4-aminotetrahydropyrane4-amino tetrahydropyran4-amino-tetrahydropyran4-aminotetra-hydropyran

Database identifiers

CAS
38041-19-9
PubChem CID
419223
DTXSID
DTXSID10329299
UNII
ZFV2YF8HW9
EC Number
674-322-0
Nikkaji
J1.521.449J

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
35.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
7

Physicochemical properties

Boiling point
60 °C · 60 °C
Density
0.977 g/cm3 · 0.977 g/cm3 at 25 °C
refractive index
20 · n20/D 1.463
Flash point
54 °C · 54°C
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C
pka
9.63 · 9.63±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (93.9%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (93.9%)

Safety data

wgk
1
ridadr
2734
hs_code
29321900
risk_code
10-34-41-22-37/18
Signal word
Danger
Symbol(GHS)
GHS02,GHS05,GHS07

Chemistry & industry

Applications · 1 item

Description4-Aminotetrahydropyran contains the tetrahydropyran ring, which is the most frequently reported three-dimensional ring system in marketed drugs, and is second only to the phenyl ring when two-dimensional rings are included. It can be used as reactant/reagent in synthesis of aminothiazole compounds for use in treatment of cancer. Its scaffold is very useful in the drug discovery for cancer treatment.

Upstream & downstream products

Suppliers50 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]

Related reactions

645 records
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Linked notes

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