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955997-89-4

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955997-89-4 Structure

955997-89-4 Structure
IdentificationBack Directory
[Name]

4-(2-Methylpropoxy)benzenemethanamine acetate (1:1)
[CAS]

955997-89-4
[Synonyms]

4-Isobutoxybenzylamine acetate
(4-isobutoxyphenyl)methanamine acetate
4-(2-Methylpropoxy)benzenemethanamine acetate
4-(2-Methylpropoxy)benzenemethanamine acetate (1
Benzenemethanamine, 4-(2-methylpropoxy)-, acetate
4-(2-Methylpropoxy)benzenemethanamine acetate (1:1)
Benzenemethanamine, 4-(2-methylpropoxy)-, acetate (1:1)
4-(2-Methylpropoxy)benzenemethanamine acetate (1:1) ISO 9001：2015 REACH
[EINECS(EC#)]

823-358-7
[Molecular Formula]

C13H21NO3
[MDL Number]

MFCD31382012
[MOL File]

955997-89-4.mol
[Molecular Weight]

239.32
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,Room Temperature
[solubility ]

DMSO; Methanol
[form ]

Crystals
[color ]

White
[InChI]

InChI=1S/C11H17NO.C2H4O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11;1-2(3)4/h3-6,9H,7-8,12H2,1-2H3;1H3,(H,3,4)
[InChIKey]

VPEGFBXWSGBVDN-UHFFFAOYSA-N
[SMILES]

C(=O)(O)C.O(C1C=CC(CN)=CC=1)CC(C)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

4-Isobutoxybenzylamine Acetate is an intermediate in the synthesis of 1,3-Bis(4-isobutoxybenzyl)urea (B448763), an impurity in the preparation of Pimavanserin (P441800), a drug used in the treatment of Parkinson’s disease and psychosis.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(2-Methylpropoxy)benzenemethanamine acetate (1:1)(955997-89-4)1HNMR
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