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N-Methyl-3-oxetanamine

N-Methyl-3-oxetanamine structure

CAS No:
952182-03-5
Formula:
C4H9NO
Chemical Name:
N-Methyl-3-oxetanamine
Synonyms:
3-Oxetanamine,N-methyl-;N-Methyl-3-oxetanamine;N-Methyloxetan-3-amine;3-(Methylamino)oxetane;N-Methyl-N-(oxetan-3-yl)amine
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

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N-Methyl-3-oxetanamine Basic Attributes

Molecular Weight：

88.1283

Exact Mass：

87.12

DSSTox ID：

DTXSID00676704

HScode：

2932999099

Characteristics

PSA：

21.3

XLogP3：

-0.5

Density：

0.965g/cm3

Boiling Point：

112.3±33.0℃ (760 Torr)

Flash Point：

27.6±14.8℃

Refractive Index：

1.442

Water Solubility：

Very Soluble (307 g/L) (25°C)

Storage Conditions：

2-8°C

Safety Information

Hazard category：

Transport codes：

UN 1993C 3 / PGIII

wgk germany：

hazard class code：

10-22-37/38-41

safety instructions：

26-39

Marks：

Precautionary statement(s)：

P261-P280-P305 + P351 + P338

Hazard Statements：

H226-H302-H315-H318-H335

N-Methyl-3-oxetanamine Use and Manufacturing

General procedure: To a solution of 5-chloro-2-[[5-methyl-3-(6-methyl-3-pyridyl)isoxazol-4-yl]methyl]pyridazin-3- one (building block A, 50 mg, 0.158 mmol) in EtOH (5 mL) was added under an atmosphere of argon triethylamine (0.219 mL, 1.58 mmol) and N-methylcyclopropanamine oxalate (254 mg, 1.58 mmol). The vial was capped and heated to 1 10 C for 17 h. The reaction mixture was diluted with EtOAc (20 mL) and was washed with water (15 mL) and brine (15 mL). The aqueous layers were extracted twice with EtOAc (20 mL). The combined organic extracts were dried (MgS04), filtered and concentrated in vacuo. Purification by flash chromatography (silica, gradient: 0% to 10% MeOH in CH2Cb) afforded the title compound (40 mg, 68%) as a light brown gum. MS (ESI): 352.2 ([M+H]+).

Computed Properties

Molecular Weight:87.12
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:87.068413911
Monoisotopic Mass:87.068413911
Topological Polar Surface Area:21.3
Heavy Atom Count:6
Complexity:42.8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 952182-03-5

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952182-03-5 N-methyloxetan-3-amine

CAS No.: 952182-03-5

Grade: Industrial Grade

Content: 95%

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