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222714-37-6

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222714-37-6 Structure

222714-37-6 Structure
IdentificationBack Directory
[Name]

Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester
[CAS]

222714-37-6
[Synonyms]

methyl (S)-4-(1-aminoethyl)benzoate
Methyl 4-((S)-1-aminoethyl)benzoate
Methyl 4-[(1S)-1-aMinoethyl]benzoate
4-[(1S)-1-Aminoethyl]benzoic acid methyl ester
(S)-4-(1-AMino-ethyl)-benzoic acid Methyl ester
Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester
(1S)-1-[4-(Methoxycarbonyl)phenyl]ethylamine, (S)-4-(Methoxycarbonyl)-alpha-methylbenzylamine
[Molecular Formula]

C10H13NO2
[MDL Number]

MFCD06762070
[MOL File]

222714-37-6.mol
[Molecular Weight]

179.22
Questions And AnswerBack Directory
[Physical Form]

White to Yellow Solid
Chemical PropertiesBack Directory
[Melting point ]

60-62°
[Boiling point ]

281.5±15.0 °C(Predicted)
[density ]

1.089±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

solid
[pka]

8?+-.0.10(Predicted)
[color ]

Off-white
[InChI]

InChI=1S/C10H13NO2/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7H,11H2,1-2H3/t7-/m0/s1
[InChIKey]

XSYGLHLLQZGWPT-ZETCQYMHSA-N
[SMILES]

C(OC)(=O)C1=CC=C([C@@H](N)C)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Exclamation Mark (GHS07)
GHS05,GHS07
[Signal word ]

Danger
[Hazard statements ]

H302+H312+H332-H314
[Precautionary statements ]

P260-P271-P280
[HS Code ]

2922498590
Hazard InformationBack Directory
[Uses]

Methyl 4-?[(1S)?-?1-?Aminoethyl]?benzoate is a reactant used in the preparation of prostanoid EP4 receptor antagonist which may be used in the treatment of osteoporosis, neurological disorders and cardiovascular diseases.
Spectrum DetailBack Directory
[Spectrum Detail]

Benzoic acid, 4-[(1S)-1-aminoethyl]-, methyl ester(222714-37-6)1HNMR
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