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3,5-Dimethyl-4-isoxazolamine

3,5-Dimethyl-4-isoxazolamine structure

CAS No:
31329-64-3
Formula:
C5H8N2O
Chemical Name:
3,5-Dimethyl-4-isoxazolamine
Synonyms:
TIMTEC-BB SBB005896;AKOS B020738;3,5-DIMETHYL-4-ISOXAZOLAMINE;3,5-DIMETHYL-ISOXAZOL-4-YLAMINE;4-AMINO-3,5-DIMETHYLISOXAZOLE;ART-CHEM-BB B020738;3,5-dimethylisoxazol-4-amine;3,5-Dimethylisoxazole-4-amine

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3,5-Dimethyl-4-isoxazolamine Basic Attributes

Molecular Weight：

112.13

Exact Mass：

112.063662883 g/mol

HScode：

2934999090

Characteristics

PSA：

52.05000

XLogP3：

1.45480

Density：

1.118±0.06 g/cm3

Melting Point：

41-46 °C(lit.)

Boiling Point：

78-80°C 0,4mm

Flash Point：

95ºC

Refractive Index：

1.52

PKA：

1.59±0.10

Safety Information

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36-37/39

Marks：

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|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:112.13
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:112.063662883
Monoisotopic Mass:112.063662883
Topological Polar Surface Area:52
Heavy Atom Count:8
Complexity:86.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,5-Dimethyl-4-isoxazolamine

Basic Attributes
Characteristics
Safety Information
Computed Properties

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