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54606-49-4

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Basic Information
CAS No.: 54606-49-4
Name: 3-(AMINOMETHYL)-PROXYL
Article Data: 4
Molecular Structure:
Molecular Structure of 54606-49-4 (3-(AMINOMETHYL)-PROXYL)
Formula: C9H19N2O
Molecular Weight: 171.26
Synonyms: 3-(Aminomethyl)-2,2,5,5-tetramethyl-1-pyrrolidinyloxy;3-Aminomethyl-2,2,5,5-tetramethylpyrrolidine-N-oxyl;
Boiling Point: 128-131 °C 13 mm Hg(lit.)
Flash Point: 144 °F
Appearance: yellow-orange oil
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22-36/37/38
Safety: 26-36
PSA: 29.26000
LogP: 1.80790
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Specification

The 1-Pyrrolidinyloxy,3-(aminomethyl)-2,2,5,5-tetramethyl-, with the CAS registry number 54606-49-4, is also known as 3-Aminomethyl-proxyl. It belongs to the product categories of Heterocyclic Compounds; Heterocycles; Nitric Oxide Reagents. This chemical's molecular formula is C9H19N2O and molecular weight is 171.149738. Its IUPAC name is called (1-λ1-oxidanyl-2,2,5,5-tetramethylpyrrolidin-3-yl)methanamine. This chemical is yellow-orange oil.

Physical properties of 1-Pyrrolidinyloxy,3-(aminomethyl)-2,2,5,5-tetramethyl-: (1)XLogP3-AA: 0.5; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 1; (5)Exact Mass: 171.149738; (6)MonoIsotopic Mass: 171.149738; (7)Topological Polar Surface Area: 30.3; (8)Heavy Atom Count: 12; (9)Formal Charge: 0; (10)Complexity: 177; (11)Undefined Atom StereoCenter Count: 1; (12)Covalently-Bonded Unit Count: 1.

Preparation: this chemical can be prepared by C27H32N2OP. This reaction will need solvent aq. ethanol. The reaction time is 10 hours. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CC(C(N1[O])(C)C)CN)C
(2)InChI: InChI=1S/C9H19N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7H,5-6,10H2,1-4H3
(3)InChIKey: MMNYKXJVNIIIEG-UHFFFAOYSA-N