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4,5-Dimethyl-3-isoxazolamine

4,5-Dimethyl-3-isoxazolamine structure

CAS No:
13999-39-8
Formula:
C5H8N2O
Chemical Name:
4,5-Dimethyl-3-isoxazolamine
Synonyms:
3-Isoxazolamine,4,5-dimethyl-;Isoxazole,3-amino-4,5-dimethyl-;4,5-Dimethyl-3-isoxazolamine;4,5-Dimethyl-3-aminoisoxazole;3-Amino-4,5-dimethylisoxazole;(4,5-Dimethylisoxazol-3-yl)amine
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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4,5-Dimethyl-3-isoxazolamine Basic Attributes

Molecular Weight：

112.12982

Exact Mass：

112.13

EC Number：

237-802-7

DSSTox ID：

DTXSID60161207

HScode：

2934999090

Characteristics

PSA：

XLogP3：

0.8

Appearance：

Off-white to beige crystalline powder

Density：

1.118±0.06 g/cm3(Predicted)

Melting Point：

115-117 °C

Boiling Point：

250.0±35.0 °C(Predicted)

Flash Point：

105.0±25.9 °C

Refractive Index：

1.521

Vapor Pressure：

0.022mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

Marks：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory.

4,5-Dimethyl-3-isoxazolamine Use and Manufacturing

4,5-Dimethyl-3-isoxazolamine is an isoxazole derivative used in the preparation of a varitey of biologically active compounds such as selective ETA receptor antagonists.

Computed Properties

Molecular Weight:112.13
XLogP3:0.8
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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CAS No.: 13999-39-8

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Latest News on 4,5-Dimethyl-3-isoxazolamine

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Guide of 4,5-Dimethyl-3-isoxazolamine

Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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4,5-Dimethyl-3-isoxazolamine

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