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3-isopropyl-1,2,4-oxadiazol-5-amine(SALTDATA:FREE)

3-isopropyl-1,2,4-oxadiazol-5-amine(SALTDATA:FREE) structure

CAS No:
3874-89-3
Formula:
C5H9N3O
Chemical Name:
3-isopropyl-1,2,4-oxadiazol-5-amine(SALTDATA:FREE)
Synonyms:
3-isopropyl-1,2,4-oxadiazol-5-amine(SALTDATA: FREE);(3-isopropyl-1,2,4-oxadiazol-5-yl)amine;3-propan-2-yl-1,2,4-oxadiazol-5-amine

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3-isopropyl-1,2,4-oxadiazol-5-amine(SALTDATA:FREE) Basic Attributes

Molecular Weight：

127.14

Exact Mass：

127.074561919

DSSTox ID：

DTXSID00610966

Characteristics

Density：

1.145±0.06 g/cm3

Melting Point：

112 °C

Boiling Point：

236.4±23.0 °C(Predicted)

PKA：

3.08±0.50

Safety Information

Hazard category：

IRRITANT

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:127.14
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:127.074561919
Monoisotopic Mass:127.074561919
Topological Polar Surface Area:64.9
Heavy Atom Count:9
Complexity:96.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-isopropyl-1,2,4-oxadiazol-5-amine(SALTDATA:FREE)

Basic Attributes
Characteristics
Safety Information
Computed Properties

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